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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.
Styrenes (85)
Benzyl Derivatives (75)
Trifluoromethylbenzenes (40)
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Phenylphosphines and derivatives (31)
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Aminobenzoic acids and derivatives (2)
Benzoic acid esters (2)
Phenoxyacetic acid derivatives (2)
Toluene diisocyanates (2)

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1 – 15 of 254 results
1

m-Tolyl acetate, 97%

EDGE
2

Phenylacetaldehyde, 95%

CAS: 122-78-1 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00006993 InChI Key: DTUQWGWMVIHBKE-UHFFFAOYSA-N Synonym: phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde PubChem CID: 998 ChEBI: CHEBI:16424 IUPAC Name: 2-phenylacetaldehyde SMILES: O=CCC1=CC=CC=C1

EDGE
PubChem CID 998
CAS 122-78-1
Molecular Weight (g/mol) 120.15
ChEBI CHEBI:16424
MDL Number MFCD00006993
SMILES O=CCC1=CC=CC=C1
Synonym phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde
IUPAC Name 2-phenylacetaldehyde
InChI Key DTUQWGWMVIHBKE-UHFFFAOYSA-N
Molecular Formula C8H8O
3

Divinylbenzene, 80%, mixture of isomers, stab. with 1000ppm 4-tert-butylcatechol

CAS: 1321-74-0 Molecular Formula: C10H10 Molecular Weight (g/mol): 130.19 MDL Number: MFCD01778656,MFCD00010654 InChI Key: MYRTYDVEIRVNKP-UHFFFAOYSA-N Synonym: divinylbenzene,1,2-divinylbenzene,o-divinylbenzene,benzene, diethenyl,benzene, 1,2-diethenyl,divinylbenzen,divinyl benzen,divinyl-benzene,poly divinylbenzene,divinylbenzene dvb PubChem CID: 66666 IUPAC Name: 1,2-bis(ethenyl)benzene SMILES: C=CC1=CC=CC=C1C=C

EDGE
PubChem CID 66666
CAS 1321-74-0
Molecular Weight (g/mol) 130.19
MDL Number MFCD01778656,MFCD00010654
SMILES C=CC1=CC=CC=C1C=C
Synonym divinylbenzene,1,2-divinylbenzene,o-divinylbenzene,benzene, diethenyl,benzene, 1,2-diethenyl,divinylbenzen,divinyl benzen,divinyl-benzene,poly divinylbenzene,divinylbenzene dvb
IUPAC Name 1,2-bis(ethenyl)benzene
InChI Key MYRTYDVEIRVNKP-UHFFFAOYSA-N
Molecular Formula C10H10
4

4-tert-Butylstyrene, 94%, stab. with 50 ppm 4-tert-butylcatechol

CAS: 1746-23-2 Molecular Formula: C12H16 Molecular Weight (g/mol): 160.26 MDL Number: MFCD00065126 InChI Key: QEDJMOONZLUIMC-UHFFFAOYSA-N Synonym: 4-tert-butylstyrene,p-tert-butylstyrene,p-t-butylstyrene,benzene, 1-1,1-dimethylethyl-4-ethenyl,styrene, p-tert-butyl,unii-9pct9cbw0v,1-1,1-dimethylethyl-4-ethenylbenzene,9pct9cbw0v,1-tert-butyl-4-vinylbenzene,4-t-butyl styrene PubChem CID: 15627 IUPAC Name: 1-tert-butyl-4-ethenylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C=C

EDGE
PubChem CID 15627
CAS 1746-23-2
Molecular Weight (g/mol) 160.26
MDL Number MFCD00065126
SMILES CC(C)(C)C1=CC=C(C=C1)C=C
Synonym 4-tert-butylstyrene,p-tert-butylstyrene,p-t-butylstyrene,benzene, 1-1,1-dimethylethyl-4-ethenyl,styrene, p-tert-butyl,unii-9pct9cbw0v,1-1,1-dimethylethyl-4-ethenylbenzene,9pct9cbw0v,1-tert-butyl-4-vinylbenzene,4-t-butyl styrene
IUPAC Name 1-tert-butyl-4-ethenylbenzene
InChI Key QEDJMOONZLUIMC-UHFFFAOYSA-N
Molecular Formula C12H16
5

Ribonucleic acid from Baker's yeast

CAS: 63231-63-0 MDL Number: MFCD00132196 IUPAC Name: Ribonucleic acid

CAS 63231-63-0
MDL Number MFCD00132196
IUPAC Name Ribonucleic acid
6

Tetrakis(triphenylphosphine)platinum(0), Pt 15.2% min

CAS: 14221-02-4 Molecular Formula: C72H60P4Pt Molecular Weight (g/mol): 1244.25 MDL Number: MFCD00010014 InChI Key: SYKXNRFLNZUGAJ-UHFFFAOYSA-N Synonym: tetrakis triphenylphosphine platinum 0,tetrakis triphenylphosphine platinum,platinum; triphenylphosphane,pt pph3 4,platinum tetratriphenylphosphine,platinum, tetrakis triphenylphosphine-, t-4,platinum 0-tetrakis triphenylphosphine,platinum; triphenylphosphine,tetrakis triphenylphosphine platinum 0 1g PubChem CID: 11979705 IUPAC Name: platinum;triphenylphosphane SMILES: [Pt].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 11979705
CAS 14221-02-4
Molecular Weight (g/mol) 1244.25
MDL Number MFCD00010014
SMILES [Pt].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym tetrakis triphenylphosphine platinum 0,tetrakis triphenylphosphine platinum,platinum; triphenylphosphane,pt pph3 4,platinum tetratriphenylphosphine,platinum, tetrakis triphenylphosphine-, t-4,platinum 0-tetrakis triphenylphosphine,platinum; triphenylphosphine,tetrakis triphenylphosphine platinum 0 1g
IUPAC Name platinum;triphenylphosphane
InChI Key SYKXNRFLNZUGAJ-UHFFFAOYSA-N
Molecular Formula C72H60P4Pt
7

4-Methoxybenzhydrol, 98+%

CAS: 720-44-5 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.264 MDL Number: MFCD00014398 InChI Key: BEGZWXVLBIZFKQ-UHFFFAOYSA-N Synonym: 4-methoxybenzhydrol,4-methoxyphenyl phenyl methanol,4-methoxybenzhydryl alcohol,benzenemethanol, 4-methoxy-.alpha.-phenyl,4-methoxyphenyl phenylmethan-1-ol,4-methoxy-phenyl-phenyl-methanol,mamp-oh resin,4-methoxybenzohydrol,acmc-209olf,p-methoxybenzhydryl alcohol PubChem CID: 95375 IUPAC Name: (4-methoxyphenyl)-phenylmethanol SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)O

PubChem CID 95375
CAS 720-44-5
Molecular Weight (g/mol) 214.264
MDL Number MFCD00014398
SMILES COC1=CC=C(C=C1)C(C2=CC=CC=C2)O
Synonym 4-methoxybenzhydrol,4-methoxyphenyl phenyl methanol,4-methoxybenzhydryl alcohol,benzenemethanol, 4-methoxy-.alpha.-phenyl,4-methoxyphenyl phenylmethan-1-ol,4-methoxy-phenyl-phenyl-methanol,mamp-oh resin,4-methoxybenzohydrol,acmc-209olf,p-methoxybenzhydryl alcohol
IUPAC Name (4-methoxyphenyl)-phenylmethanol
InChI Key BEGZWXVLBIZFKQ-UHFFFAOYSA-N
Molecular Formula C14H14O2
8

Methyl 2,5-difluoro-4-nitrobenzoate, 95%

CAS: 924868-81-5 Molecular Formula: C8H5F2NO4 Molecular Weight (g/mol): 217.13 MDL Number: MFCD08689670 InChI Key: XBUVRWIIEREYFL-UHFFFAOYSA-N Synonym: methyl 2,5-difluoro-4-nitrobenzenecarboxylate,methyl2,5-difluoro-4-nitrobenzoate,benzoic acid, 2,5-difluoro-4-nitro-, methyl ester,methyldifluoronitrobenzenecarboxylate,methyl-2,5-difluoro-4-nitrobenzoate,2,5-difluoro-4-methoxycarbonyl nitrobenzene,2,5-difluoro-4-nitro-benzoic acid methyl ester PubChem CID: 18526058 IUPAC Name: methyl 2,5-difluoro-4-nitrobenzoate SMILES: COC(=O)C1=CC(F)=C(C=C1F)[N+]([O-])=O

PubChem CID 18526058
CAS 924868-81-5
Molecular Weight (g/mol) 217.13
MDL Number MFCD08689670
SMILES COC(=O)C1=CC(F)=C(C=C1F)[N+]([O-])=O
Synonym methyl 2,5-difluoro-4-nitrobenzenecarboxylate,methyl2,5-difluoro-4-nitrobenzoate,benzoic acid, 2,5-difluoro-4-nitro-, methyl ester,methyldifluoronitrobenzenecarboxylate,methyl-2,5-difluoro-4-nitrobenzoate,2,5-difluoro-4-methoxycarbonyl nitrobenzene,2,5-difluoro-4-nitro-benzoic acid methyl ester
IUPAC Name methyl 2,5-difluoro-4-nitrobenzoate
InChI Key XBUVRWIIEREYFL-UHFFFAOYSA-N
Molecular Formula C8H5F2NO4
9

4-Acetophenetidide, 97%

CAS: 62-44-2 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.22 MDL Number: MFCD00009094 InChI Key: CPJSUEIXXCENMM-UHFFFAOYSA-N Synonym: phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin PubChem CID: 4754 ChEBI: CHEBI:8050 IUPAC Name: N-(4-ethoxyphenyl)acetamide SMILES: CCOC1=CC=C(C=C1)NC(=O)C

PubChem CID 4754
CAS 62-44-2
Molecular Weight (g/mol) 179.22
ChEBI CHEBI:8050
MDL Number MFCD00009094
SMILES CCOC1=CC=C(C=C1)NC(=O)C
Synonym phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin
IUPAC Name N-(4-ethoxyphenyl)acetamide
InChI Key CPJSUEIXXCENMM-UHFFFAOYSA-N
Molecular Formula C10H13NO2
10

Glybenzcyclamide, 99%

CAS: 10238-21-8 Molecular Formula: C23H28ClN3O5S Molecular Weight (g/mol): 494.003 MDL Number: MFCD00056625 InChI Key: ZNNLBTZKUZBEKO-UHFFFAOYSA-N Synonym: glyburide,glibenclamide,glybenclamide,micronase,diabeta,glynase,daonil,euglucon,maninil,semi-daonil PubChem CID: 3488 ChEBI: CHEBI:5441 IUPAC Name: 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide SMILES: COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3

PubChem CID 3488
CAS 10238-21-8
Molecular Weight (g/mol) 494.003
ChEBI CHEBI:5441
MDL Number MFCD00056625
SMILES COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
Synonym glyburide,glibenclamide,glybenclamide,micronase,diabeta,glynase,daonil,euglucon,maninil,semi-daonil
IUPAC Name 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
InChI Key ZNNLBTZKUZBEKO-UHFFFAOYSA-N
Molecular Formula C23H28ClN3O5S
11

(Ethoxycarbonylmethylene)triphenylphosphorane, 98+%

CAS: 1099-45-2 Molecular Formula: C22H21O2P Molecular Weight (g/mol): 348.38 MDL Number: MFCD00009183 InChI Key: IIHPVYJPDKJYOU-UHFFFAOYSA-N Synonym: carbethoxymethylene triphenylphosphorane,ethyl triphenylphosphoranylidene acetate,triphenylcarbethoxymethylenephosphorane,acetic acid, triphenylphosphoranylidene-, ethyl ester,ethyl 2-triphenylphosphoranylidene acetate,ethoxycarbonylmethylene triphenylphosphorane,carboethoxymethylidenetriphenylphosphorane,ethyl triphenylphosphoranilidene acetate,carbethoxytriphenylphosphonium methylide,carbethoxymethylidenetriphenylphosphorane PubChem CID: 70670 IUPAC Name: ethyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate SMILES: CCOC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 70670
CAS 1099-45-2
Molecular Weight (g/mol) 348.38
MDL Number MFCD00009183
SMILES CCOC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym carbethoxymethylene triphenylphosphorane,ethyl triphenylphosphoranylidene acetate,triphenylcarbethoxymethylenephosphorane,acetic acid, triphenylphosphoranylidene-, ethyl ester,ethyl 2-triphenylphosphoranylidene acetate,ethoxycarbonylmethylene triphenylphosphorane,carboethoxymethylidenetriphenylphosphorane,ethyl triphenylphosphoranilidene acetate,carbethoxytriphenylphosphonium methylide,carbethoxymethylidenetriphenylphosphorane
IUPAC Name ethyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate
InChI Key IIHPVYJPDKJYOU-UHFFFAOYSA-N
Molecular Formula C22H21O2P
13

1,4-Bis[alpha-(4-chlorophenyl)benzyl]piperazine dihydrochloride, 97%

CAS: 346451-15-8 Molecular Formula: C30H30Cl4N2 Molecular Weight (g/mol): 560.384 MDL Number: MFCD03844641 InChI Key: DLEQNCKNBPYHEY-UHFFFAOYSA-N Synonym: 1,4-bis 4-chlorophenyl phenylmethyl piperazine dihydrochloride,cetirizine impurity d,1,4-bis 4-chlorophenyl phenylmethyl-piperazine dihydrochloride,1,4-bis 4-chlorophenyl phenyl methyl piperazine dihydrochloride,1,4-bis 4-chlorophenyl-phenylmethyl piperazine;dihydrochloride PubChem CID: 24720891 IUPAC Name: 1,4-bis[(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride SMILES: C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl.Cl

PubChem CID 24720891
CAS 346451-15-8
Molecular Weight (g/mol) 560.384
MDL Number MFCD03844641
SMILES C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl.Cl
Synonym 1,4-bis 4-chlorophenyl phenylmethyl piperazine dihydrochloride,cetirizine impurity d,1,4-bis 4-chlorophenyl phenylmethyl-piperazine dihydrochloride,1,4-bis 4-chlorophenyl phenyl methyl piperazine dihydrochloride,1,4-bis 4-chlorophenyl-phenylmethyl piperazine;dihydrochloride
IUPAC Name 1,4-bis[(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
InChI Key DLEQNCKNBPYHEY-UHFFFAOYSA-N
Molecular Formula C30H30Cl4N2
14

(Acetylmethylene)triphenylphosphorane, 99%

CAS: 1439-36-7 Molecular Formula: C21H19OP Molecular Weight (g/mol): 318.36 MDL Number: MFCD00008774 InChI Key: KAANTNXREIRLCT-UHFFFAOYSA-N Synonym: acetylmethylene triphenylphosphorane,1-triphenylphosphoranylidene propan-2-one,1-triphenylphosphoranylidene-2-propanone,1-triphenylphosphoranylidene acetone,2-propanone, 1-triphenylphosphoranylidene,acetonylidenetriphenyl phosphorane,acetylmethylene triphenylphosphine,triphenylacetylmethylene phosphorane,2-propanone, triphenylphosphoranylidene,triphenylphosphoranylidene-2-propanone PubChem CID: 15038 IUPAC Name: 1-(triphenyl-$l^{5}-phosphanylidene)propan-2-one SMILES: CC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 15038
CAS 1439-36-7
Molecular Weight (g/mol) 318.36
MDL Number MFCD00008774
SMILES CC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym acetylmethylene triphenylphosphorane,1-triphenylphosphoranylidene propan-2-one,1-triphenylphosphoranylidene-2-propanone,1-triphenylphosphoranylidene acetone,2-propanone, 1-triphenylphosphoranylidene,acetonylidenetriphenyl phosphorane,acetylmethylene triphenylphosphine,triphenylacetylmethylene phosphorane,2-propanone, triphenylphosphoranylidene,triphenylphosphoranylidene-2-propanone
IUPAC Name 1-(triphenyl-$l^{5}-phosphanylidene)propan-2-one
InChI Key KAANTNXREIRLCT-UHFFFAOYSA-N
Molecular Formula C21H19OP
15

Sodium phenylpyruvate, 98%

CAS: 114-76-1 Molecular Formula: C9H7NaO3 Molecular Weight (g/mol): 186.142 MDL Number: MFCD00002590 InChI Key: MQGYVGKMCRDEAF-UHFFFAOYSA-M Synonym: sodium phenylpyruvate,phenylpyruvic acid sodium salt,sodium 2-oxo-3-phenylpropanoate,unii-7528cw33ww,sodium ?-phenylpyruvate,phenylpyruvic acid, sodium salt,l-phenyl pyruvic acid sodium salt,beta-phenylpyruvic acid sodium salt,2-oxo-3-phenylpropionic acid,3-phenyl-2-oxopropanoic acid, sodium salt PubChem CID: 23667645 IUPAC Name: sodium;2-oxo-3-phenylpropanoate SMILES: C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Na+]

PubChem CID 23667645
CAS 114-76-1
Molecular Weight (g/mol) 186.142
MDL Number MFCD00002590
SMILES C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Na+]
Synonym sodium phenylpyruvate,phenylpyruvic acid sodium salt,sodium 2-oxo-3-phenylpropanoate,unii-7528cw33ww,sodium ?-phenylpyruvate,phenylpyruvic acid, sodium salt,l-phenyl pyruvic acid sodium salt,beta-phenylpyruvic acid sodium salt,2-oxo-3-phenylpropionic acid,3-phenyl-2-oxopropanoic acid, sodium salt
IUPAC Name sodium;2-oxo-3-phenylpropanoate
InChI Key MQGYVGKMCRDEAF-UHFFFAOYSA-M
Molecular Formula C9H7NaO3