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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Fluorobenzenes (101)
Trifluoromethylbenzenes (47)
Methoxybenzenes (28)
Phenylpropanes (27)
Benzoyl derivatives (24)
Styrenes (22)
Benzyl Derivatives (17)
Phenoxy compounds (14)
Cumenes (11)
Diphenylmethanes (11)
Bromobenzenes (9)
Benzenesulfonamides (6)
Phenylphosphines and derivatives (6)
Hydroxybenzoic Acid Derivatives (6)
Phenylhydrazines (5)
Phenylmethylamines (5)
Phenylpropenes (4)
Benzophenones (3)
Diphenylethers (3)
Iodobenzenes (3)
Nitrobenzenes (3)
Aminotoluenes (2)
Aniline and substituted anilines (2)
Peroxybenzoic acids and derivatives (2)

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1 – 15 of 196 results
1

4-Methoxybenzaldehyde, 98%

CAS: 123-11-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O

EDGE
PubChem CID 31244
CAS 123-11-5
Molecular Weight (g/mol) 136.15
ChEBI CHEBI:28235
MDL Number MFCD00003385
SMILES COC1=CC=C(C=C1)C=O
Synonym p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine
IUPAC Name 4-methoxybenzaldehyde
InChI Key ZRSNZINYAWTAHE-UHFFFAOYSA-N
Molecular Formula C8H8O2
2

Anisole, 99%, pure

CAS: 100-66-3 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1

PubChem CID 7519
CAS 100-66-3
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:16579
SMILES COC1=CC=CC=C1
Synonym methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene
IUPAC Name anisole
InChI Key RDOXTESZEPMUJZ-UHFFFAOYSA-N
Molecular Formula C7H8O
3

3-Chloroperoxybenzoic Acid, 70-75%, balance 3-Chlorobenzoic Acid and water

3-Chloroperoxybenzoic acid, 70-75%, C7H5ClO3, CAS Number-937-14-4, 535-80-8, 7732-18-5 | CAS: 937-14-4 | C7H5ClO3 | 172.56 g/mol

Linear Formula ClC6H4CO3H
Molecular Weight (g/mol) 172.56
ChEBI CHEBI:52091
CAS Min % 25.0
InChI Key NHQDETIJWKXCTC-UHFFFAOYSA-N
Density 0.5600g/mL
PubChem CID 70297
Name Note 70 - 75%
Percent Purity 70-75%
Fieser 01,135; 02,68; 03,49; 04,85; 05,120; 06,110; 07,62; 08,97; 09,108; 10,92; 11,122; 12,118; 13,76; 15,86; 16,80; 17,76
RTECS Number SD9470000
Formula Weight 172.57
Melting Point 92.0°C to 94.0°C
CAS Max % 30.0
Color White
Physical Form Moist Powder
SMILES OOC(=O)C1=CC=CC(Cl)=C1
Merck Index 15,2154
Assay Percent Range di-m-Chlorobenzoyl peroxide: < 0.1% Typical (HPLC)
CAS 7732-18-5
Health Hazard 3 GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
Keep away from heat/sparks/open flames/hot surfaces.
- No smoking.
Keep/Store away from clothing/ combustible materials.
IF SWALLOWED: rin
MDL Number MFCD00002127
Health Hazard 2 GHS H Statement
Causes severe skin burns and eye damage.
Harmful if swallowed.
Heating may cause a fire.
Solubility Information Solubility in water: insoluble. Other solubilities: soluble in koh, soluble in chloroform and acetone
Health Hazard 1 GHS Signal Word: Danger
Synonym 3-chloroperoxybenzoic acid,3-chloroperbenzoic acid,mcpba,m-chloroperbenzoic acid,m-chloroperoxybenzoic acid,meta-chloroperoxybenzoic acid,benzenecarboperoxoic acid, 3-chloro,m-chlorobenzoyl hydroperoxide,meta-chloroperbenzoic acid,3-chlorobenzoperoxoic acid
TSCA TSCA
IUPAC Name 3-chlorobenzenecarboperoxoic acid
Beilstein 09,IV,972
Molecular Formula C7H5ClO3
EINECS Number 213-322-3
Specific Gravity 0.56
4

2-Fluorotoluene, 99+%

CAS: 95-52-3 Molecular Formula: C7H7F Molecular Weight (g/mol): 110.131 MDL Number: MFCD00000322 InChI Key: MMZYCBHLNZVROM-UHFFFAOYSA-N Synonym: 2-fluorotoluene,o-fluorotoluene,benzene, 1-fluoro-2-methyl,toluene, o-fluoro,1-methyl-2-fluorobenzene,unii-l55xkb3k7h,1-fluoro-2-methyl-benzene,ortho-fluorotoluene,fluorotoluene,l55xkb3k7h PubChem CID: 7241 IUPAC Name: 1-fluoro-2-methylbenzene SMILES: CC1=CC=CC=C1F

PubChem CID 7241
CAS 95-52-3
Molecular Weight (g/mol) 110.131
MDL Number MFCD00000322
SMILES CC1=CC=CC=C1F
Synonym 2-fluorotoluene,o-fluorotoluene,benzene, 1-fluoro-2-methyl,toluene, o-fluoro,1-methyl-2-fluorobenzene,unii-l55xkb3k7h,1-fluoro-2-methyl-benzene,ortho-fluorotoluene,fluorotoluene,l55xkb3k7h
IUPAC Name 1-fluoro-2-methylbenzene
InChI Key MMZYCBHLNZVROM-UHFFFAOYSA-N
Molecular Formula C7H7F
5

Bromobenzene, 99%, pure

CAS: 108-86-1 Molecular Formula: C6H5Br Molecular Weight (g/mol): 157.01 MDL Number: MFCD00000055 InChI Key: QARVLSVVCXYDNA-UHFFFAOYSA-N Synonym: benzene, bromo,monobromobenzene,phenyl bromide,bromo-benzene,1-bromobenzene,phbr,bromo benzene,4-bromobenzene,unii-co4d5j547l,hsdb 47 PubChem CID: 7961 ChEBI: CHEBI:3179 IUPAC Name: bromobenzene SMILES: BrC1=CC=CC=C1

PubChem CID 7961
CAS 108-86-1
Molecular Weight (g/mol) 157.01
ChEBI CHEBI:3179
MDL Number MFCD00000055
SMILES BrC1=CC=CC=C1
Synonym benzene, bromo,monobromobenzene,phenyl bromide,bromo-benzene,1-bromobenzene,phbr,bromo benzene,4-bromobenzene,unii-co4d5j547l,hsdb 47
IUPAC Name bromobenzene
InChI Key QARVLSVVCXYDNA-UHFFFAOYSA-N
Molecular Formula C6H5Br
6

Proadifen hydrochloride

CAS: 62-68-0 Molecular Formula: C23H32ClNO2 Molecular Weight (g/mol): 389.964 MDL Number: MFCD00055151 InChI Key: FHIKZROVIDCMJA-UHFFFAOYSA-N Synonym: proadifen hydrochloride,proadifen hcl,propyladiphenin,skf-525a hydrochloride,skf 525a,sk&f 525-a,proadifen hydrochloride usan,skf 525-a,skf-525a, hydrochloride PubChem CID: 65341 IUPAC Name: 2-(diethylamino)ethyl 2,2-diphenylpentanoate;hydrochloride SMILES: CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC.Cl

PubChem CID 65341
CAS 62-68-0
Molecular Weight (g/mol) 389.964
MDL Number MFCD00055151
SMILES CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC.Cl
Synonym proadifen hydrochloride,proadifen hcl,propyladiphenin,skf-525a hydrochloride,skf 525a,sk&f 525-a,proadifen hydrochloride usan,skf 525-a,skf-525a, hydrochloride
IUPAC Name 2-(diethylamino)ethyl 2,2-diphenylpentanoate;hydrochloride
InChI Key FHIKZROVIDCMJA-UHFFFAOYSA-N
Molecular Formula C23H32ClNO2
7

Fluorobenzene, 99%

CAS: 462-06-6 Molecular Formula: C6H5F Molecular Weight (g/mol): 96.10 MDL Number: MFCD00000280 InChI Key: PYLWMHQQBFSUBP-UHFFFAOYSA-N Synonym: benzene, fluoro,monofluorobenzene,phenyl fluoride,fluorbenzol,fluoro-benzene,4-fluorobenzene,unii-g3tsz68k12,fluoranylbenzene,fluorobenzenes,1,2,3,4,5-pentadeuterio-6-fluorobenzene PubChem CID: 10008 ChEBI: CHEBI:5115 IUPAC Name: fluorobenzene SMILES: FC1=CC=CC=C1

PubChem CID 10008
CAS 462-06-6
Molecular Weight (g/mol) 96.10
ChEBI CHEBI:5115
MDL Number MFCD00000280
SMILES FC1=CC=CC=C1
Synonym benzene, fluoro,monofluorobenzene,phenyl fluoride,fluorbenzol,fluoro-benzene,4-fluorobenzene,unii-g3tsz68k12,fluoranylbenzene,fluorobenzenes,1,2,3,4,5-pentadeuterio-6-fluorobenzene
IUPAC Name fluorobenzene
InChI Key PYLWMHQQBFSUBP-UHFFFAOYSA-N
Molecular Formula C6H5F
8

Pentafluorobenzonitrile, 99%

CAS: 773-82-0 Molecular Formula: C7F5N Molecular Weight (g/mol): 193.07 InChI Key: YXWJGZQOGXGSSC-UHFFFAOYSA-N Synonym: pentafluorobenzonitrile,perfluorobenzonitrile,benzonitrile, pentafluoro,pentafluorocyanobenzene,benzonitrile, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro benzonitrile,2,3,4,5,6-pentafluorobenzenecarbonitrile,cyanopentafluorobenzene,pubchem2319,acmc-209p9k PubChem CID: 69882 IUPAC Name: 2,3,4,5,6-pentafluorobenzonitrile SMILES: C(#N)C1=C(C(=C(C(=C1F)F)F)F)F

PubChem CID 69882
CAS 773-82-0
Molecular Weight (g/mol) 193.07
SMILES C(#N)C1=C(C(=C(C(=C1F)F)F)F)F
Synonym pentafluorobenzonitrile,perfluorobenzonitrile,benzonitrile, pentafluoro,pentafluorocyanobenzene,benzonitrile, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro benzonitrile,2,3,4,5,6-pentafluorobenzenecarbonitrile,cyanopentafluorobenzene,pubchem2319,acmc-209p9k
IUPAC Name 2,3,4,5,6-pentafluorobenzonitrile
InChI Key YXWJGZQOGXGSSC-UHFFFAOYSA-N
Molecular Formula C7F5N
9

3,4,5-Trimethoxytoluene, 98%

CAS: 6443-69-2 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00008397 InChI Key: KCIZTNZGSBSSRM-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxytoluene,benzene, 1,2,3-trimethoxy-5-methyl,5-methylpyrogallol trimethyl ether,1,2,3-trimethoxy-5-methyl-benzene,toluene, 3,4,5-trimethoxy,1,2,3-trimethoxy-5-methylbenzol,pubchem13665,acmc-209nm4,3,4,5-trimethoxy-toluene,3,4,5-trimethoxy toluene PubChem CID: 80922 ChEBI: CHEBI:81354 IUPAC Name: 1,2,3-trimethoxy-5-methylbenzene SMILES: CC1=CC(=C(C(=C1)OC)OC)OC

PubChem CID 80922
CAS 6443-69-2
Molecular Weight (g/mol) 182.219
ChEBI CHEBI:81354
MDL Number MFCD00008397
SMILES CC1=CC(=C(C(=C1)OC)OC)OC
Synonym 3,4,5-trimethoxytoluene,benzene, 1,2,3-trimethoxy-5-methyl,5-methylpyrogallol trimethyl ether,1,2,3-trimethoxy-5-methyl-benzene,toluene, 3,4,5-trimethoxy,1,2,3-trimethoxy-5-methylbenzol,pubchem13665,acmc-209nm4,3,4,5-trimethoxy-toluene,3,4,5-trimethoxy toluene
IUPAC Name 1,2,3-trimethoxy-5-methylbenzene
InChI Key KCIZTNZGSBSSRM-UHFFFAOYSA-N
Molecular Formula C10H14O3
10

Styrene, 99%, extra pure, stabilized

CAS: 100-42-5 Molecular Formula: C8H8 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00008612,MFCD00084450 InChI Key: PPBRXRYQALVLMV-UHFFFAOYSA-N Synonym: ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene PubChem CID: 7501 ChEBI: CHEBI:27452 IUPAC Name: styrene SMILES: C=CC1=CC=CC=C1

PubChem CID 7501
CAS 100-42-5
Molecular Weight (g/mol) 104.15
ChEBI CHEBI:27452
MDL Number MFCD00008612,MFCD00084450
SMILES C=CC1=CC=CC=C1
Synonym ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene
IUPAC Name styrene
InChI Key PPBRXRYQALVLMV-UHFFFAOYSA-N
Molecular Formula C8H8
11

Dicumyl peroxide, 99%

CAS: 80-43-3 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.37 MDL Number: MFCD00036227 InChI Key: XMNIXWIUMCBBBL-UHFFFAOYSA-N Synonym: dicumyl peroxide,cumene peroxide,cumyl peroxide,percumyl d,perkadox b,diisopropylbenzene peroxide,perkadox bc,perkadox sb,dicumenyl peroxide,peroxide, bis 1-methyl-1-phenylethyl PubChem CID: 6641 IUPAC Name: 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene SMILES: CC(C)(C1=CC=CC=C1)OOC(C)(C)C2=CC=CC=C2

PubChem CID 6641
CAS 80-43-3
Molecular Weight (g/mol) 270.37
MDL Number MFCD00036227
SMILES CC(C)(C1=CC=CC=C1)OOC(C)(C)C2=CC=CC=C2
Synonym dicumyl peroxide,cumene peroxide,cumyl peroxide,percumyl d,perkadox b,diisopropylbenzene peroxide,perkadox bc,perkadox sb,dicumenyl peroxide,peroxide, bis 1-methyl-1-phenylethyl
IUPAC Name 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
InChI Key XMNIXWIUMCBBBL-UHFFFAOYSA-N
Molecular Formula C18H22O2
12

2,3,4,5,6-Pentafluorostyrene, 97%, stabilized

CAS: 653-34-9 Molecular Formula: C8H3F5 Molecular Weight (g/mol): 194.1 MDL Number: MFCD00000300 InChI Key: LVJZCPNIJXVIAT-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorostyrene,pentafluorostyrene,benzene, ethenylpentafluoro,1,2,3,4,5-pentafluoro-6-vinyl-benzene,2',3',4',5',6'-pentafluorostyrene,2-2,3,4,5,6-pentafluorophenyl ethyl,vinylpentafluorobenzene,acmc-1avmt,styrene, 2,3,4,5,6-pentafluoro,1,2,3,4,5-pentafluoro-6-vinylbenzene PubChem CID: 69556 IUPAC Name: 1-ethenyl-2,3,4,5,6-pentafluorobenzene SMILES: C=CC1=C(C(=C(C(=C1F)F)F)F)F

PubChem CID 69556
CAS 653-34-9
Molecular Weight (g/mol) 194.1
MDL Number MFCD00000300
SMILES C=CC1=C(C(=C(C(=C1F)F)F)F)F
Synonym 2,3,4,5,6-pentafluorostyrene,pentafluorostyrene,benzene, ethenylpentafluoro,1,2,3,4,5-pentafluoro-6-vinyl-benzene,2',3',4',5',6'-pentafluorostyrene,2-2,3,4,5,6-pentafluorophenyl ethyl,vinylpentafluorobenzene,acmc-1avmt,styrene, 2,3,4,5,6-pentafluoro,1,2,3,4,5-pentafluoro-6-vinylbenzene
IUPAC Name 1-ethenyl-2,3,4,5,6-pentafluorobenzene
InChI Key LVJZCPNIJXVIAT-UHFFFAOYSA-N
Molecular Formula C8H3F5
13

tert-Butylbenzene, 99%

CAS: 98-06-6 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.22 MDL Number: MFCD00008816 InChI Key: YTZKOQUCBOVLHL-UHFFFAOYSA-N Synonym: t-butylbenzene,benzene, 1,1-dimethylethyl,benzene, tert-butyl,2-methyl-2-phenylpropane,phenyltrimethylmethane,pseudobutylbenzene,dimethylethylbenzene,trimethylphenylmethane,1,1-dimethylethylbenzene,tert-butyl benzene PubChem CID: 7366 IUPAC Name: tert-butylbenzene SMILES: CC(C)(C)C1=CC=CC=C1

PubChem CID 7366
CAS 98-06-6
Molecular Weight (g/mol) 134.22
MDL Number MFCD00008816
SMILES CC(C)(C)C1=CC=CC=C1
Synonym t-butylbenzene,benzene, 1,1-dimethylethyl,benzene, tert-butyl,2-methyl-2-phenylpropane,phenyltrimethylmethane,pseudobutylbenzene,dimethylethylbenzene,trimethylphenylmethane,1,1-dimethylethylbenzene,tert-butyl benzene
IUPAC Name tert-butylbenzene
InChI Key YTZKOQUCBOVLHL-UHFFFAOYSA-N
Molecular Formula C10H14
14

4-Methylbenzenesulfonhydrazide, 97%

CAS: 1576-35-8 Molecular Formula: C7H10N2O2S Molecular Weight (g/mol): 186.23 MDL Number: MFCD00007588 InChI Key: ICGLPKIVTVWCFT-UHFFFAOYSA-N Synonym: 4-methylbenzenesulfonhydrazide,p-toluenesulfonhydrazide,tosylhydrazine,p-toluenesulfonyl hydrazide,tosylhydrazide,p-tosylhydrazine,p-toluenesulfonylhydrazine,celogen tsh,ptsh,4-toluenesulfonyl hydrazide PubChem CID: 15303 SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN

PubChem CID 15303
CAS 1576-35-8
Molecular Weight (g/mol) 186.23
MDL Number MFCD00007588
SMILES CC1=CC=C(C=C1)S(=O)(=O)NN
Synonym 4-methylbenzenesulfonhydrazide,p-toluenesulfonhydrazide,tosylhydrazine,p-toluenesulfonyl hydrazide,tosylhydrazide,p-tosylhydrazine,p-toluenesulfonylhydrazine,celogen tsh,ptsh,4-toluenesulfonyl hydrazide
InChI Key ICGLPKIVTVWCFT-UHFFFAOYSA-N
Molecular Formula C7H10N2O2S
15

2-Bromobenzyl alcohol, 98%

CAS: 18982-54-2 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00004600 InChI Key: IOWGHQGLUMEZKG-UHFFFAOYSA-N Synonym: 2-bromobenzyl alcohol,2-bromophenyl methanol,o-bromobenzyl alcohol,benzenemethanol, 2-bromo,o-bromo-benzyl alcohol,2-bromobenzylalcohol,2-bromophenyl methan-1-ol,o-bromobenzylalcohol,2-bromo-benzylalcohol,pubchem3746 PubChem CID: 72850 IUPAC Name: (2-bromophenyl)methanol SMILES: OCC1=CC=CC=C1Br

PubChem CID 72850
CAS 18982-54-2
Molecular Weight (g/mol) 187.04
MDL Number MFCD00004600
SMILES OCC1=CC=CC=C1Br
Synonym 2-bromobenzyl alcohol,2-bromophenyl methanol,o-bromobenzyl alcohol,benzenemethanol, 2-bromo,o-bromo-benzyl alcohol,2-bromobenzylalcohol,2-bromophenyl methan-1-ol,o-bromobenzylalcohol,2-bromo-benzylalcohol,pubchem3746
IUPAC Name (2-bromophenyl)methanol
InChI Key IOWGHQGLUMEZKG-UHFFFAOYSA-N
Molecular Formula C7H7BrO