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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.
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Keyword Search:
1 – 15 of 3,472 results
1

(Phenylsulfonyl)acetic acid, 97%

CAS: 3959-23-7 Molecular Formula: C8H8O4S Molecular Weight (g/mol): 200.208 MDL Number: MFCD00025042 InChI Key: YTEFAALYDTWTLB-UHFFFAOYSA-N Synonym: phenylsulfonyl acetic acid,2-phenylsulfonyl acetic acid,2-benzenesulfonyl acetic acid,phenylsulfonylacetic acid,acetic acid, phenylsulfonyl,benzenesulfonyl-acetic acid,benzenesulfonyl acetic acid,2-phenylsulphonyl acetic acid,benzenesulfonylacetic acid,phenyl sulfonylacetic acid PubChem CID: 59543 IUPAC Name: 2-(benzenesulfonyl)acetic acid SMILES: C1=CC=C(C=C1)S(=O)(=O)CC(=O)O

PubChem CID 59543
CAS 3959-23-7
Molecular Weight (g/mol) 200.208
MDL Number MFCD00025042
SMILES C1=CC=C(C=C1)S(=O)(=O)CC(=O)O
Synonym phenylsulfonyl acetic acid,2-phenylsulfonyl acetic acid,2-benzenesulfonyl acetic acid,phenylsulfonylacetic acid,acetic acid, phenylsulfonyl,benzenesulfonyl-acetic acid,benzenesulfonyl acetic acid,2-phenylsulphonyl acetic acid,benzenesulfonylacetic acid,phenyl sulfonylacetic acid
IUPAC Name 2-(benzenesulfonyl)acetic acid
InChI Key YTEFAALYDTWTLB-UHFFFAOYSA-N
Molecular Formula C8H8O4S
2

(3,4-Dimethoxyphenyl)acetic acid, 99%

CAS: 93-40-3 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.2 MDL Number: MFCD00004335 InChI Key: WUAXWQRULBZETB-UHFFFAOYSA-N Synonym: homoveratric acid,3,4-dimethoxyphenylacetic acid,3,4-dimethoxyphenyl acetic acid,2-3,4-dimethoxyphenyl acetic acid,benzeneacetic acid, 3,4-dimethoxy,3,4-dimethoxybenzeneacetic acid,3,4-dimethoxy-phenyl-acetic acid,acetic acid, 3,4-dimethoxyphenyl PubChem CID: 7139 ChEBI: CHEBI:86655 IUPAC Name: 2-(3,4-dimethoxyphenyl)acetic acid SMILES: COC1=C(C=C(C=C1)CC(=O)O)OC

PubChem CID 7139
CAS 93-40-3
Molecular Weight (g/mol) 196.2
ChEBI CHEBI:86655
MDL Number MFCD00004335
SMILES COC1=C(C=C(C=C1)CC(=O)O)OC
Synonym homoveratric acid,3,4-dimethoxyphenylacetic acid,3,4-dimethoxyphenyl acetic acid,2-3,4-dimethoxyphenyl acetic acid,benzeneacetic acid, 3,4-dimethoxy,3,4-dimethoxybenzeneacetic acid,3,4-dimethoxy-phenyl-acetic acid,acetic acid, 3,4-dimethoxyphenyl
IUPAC Name 2-(3,4-dimethoxyphenyl)acetic acid
InChI Key WUAXWQRULBZETB-UHFFFAOYSA-N
Molecular Formula C10H12O4
3
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(4-Methylphenoxy)acetic acid, 99%, Thermo Scientific™

CAS: 940-64-7 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00014365 InChI Key: SFTDDFBJWUWKMN-UHFFFAOYSA-N Synonym: 4-methylphenoxy acetic acid,4-methylphenoxyacetic acid,2-4-methylphenoxy acetic acid,p-methylphenoxyacetic acid,unii-wwy23322ik,acetic acid, 4-methylphenoxy,2-p-tolyloxy acetic acid,p-toloxyacetic acid,acmc-20apmz,p-tolyloxy-acetic acid PubChem CID: 70329 IUPAC Name: 2-(4-methylphenoxy)acetic acid SMILES: CC1=CC=C(C=C1)OCC(=O)O

PubChem CID 70329
CAS 940-64-7
Molecular Weight (g/mol) 166.18
MDL Number MFCD00014365
SMILES CC1=CC=C(C=C1)OCC(=O)O
Synonym 4-methylphenoxy acetic acid,4-methylphenoxyacetic acid,2-4-methylphenoxy acetic acid,p-methylphenoxyacetic acid,unii-wwy23322ik,acetic acid, 4-methylphenoxy,2-p-tolyloxy acetic acid,p-toloxyacetic acid,acmc-20apmz,p-tolyloxy-acetic acid
IUPAC Name 2-(4-methylphenoxy)acetic acid
InChI Key SFTDDFBJWUWKMN-UHFFFAOYSA-N
Molecular Formula C9H10O3
4

2-(Styrylthio)acetic acid, 97%, Thermo Scientific™

CAS: 13435-97-7 Molecular Formula: C10H10O2S Molecular Weight (g/mol): 194.248 MDL Number: MFCD00068078 InChI Key: IUEVBKDVPSQVLM-VOTSOKGWSA-N Synonym: 2-styrylthio acetic acid,e-2-phenylethenyl sulfanyl acetic acid,2-phenylethenyl sulfanyl acetic acid,acetic acid,2-2-phenylethenyl thio,e-styrylsulfanyl-acetic acid,2-1e-2-phenylvinylthio acetic acid,2-e-2-phenylethenyl sulfanylacetic acid PubChem CID: 5474136 IUPAC Name: 2-[(E)-2-phenylethenyl]sulfanylacetic acid SMILES: C1=CC=C(C=C1)C=CSCC(=O)O

PubChem CID 5474136
CAS 13435-97-7
Molecular Weight (g/mol) 194.248
MDL Number MFCD00068078
SMILES C1=CC=C(C=C1)C=CSCC(=O)O
Synonym 2-styrylthio acetic acid,e-2-phenylethenyl sulfanyl acetic acid,2-phenylethenyl sulfanyl acetic acid,acetic acid,2-2-phenylethenyl thio,e-styrylsulfanyl-acetic acid,2-1e-2-phenylvinylthio acetic acid,2-e-2-phenylethenyl sulfanylacetic acid
IUPAC Name 2-[(E)-2-phenylethenyl]sulfanylacetic acid
InChI Key IUEVBKDVPSQVLM-VOTSOKGWSA-N
Molecular Formula C10H10O2S
5

(4-Hydroxyphenoxy)acetic acid, 98%, Thermo Scientific Chemicals

CAS: 1878-84-8 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00014362 InChI Key: PKGWLCZTTHWKIZ-UHFFFAOYSA-N Synonym: 4-hydroxyphenoxyacetic acid,4-hydroxyphenoxy acetic acid,2-4-hydroxyphenoxy acetic acid,4-hydroxypheoxyacetate,acetic acid, 4-hydroxyphenoxy,4-hydroxy-phenoxy-acetic acid,p-hydroxyphenoxyacetic acid,acetic acid, 2-4-hydroxyphenoxy,acetic acid, p-hydroxyphenoxy,4-carboxymethoxy phenol PubChem CID: 15881 ChEBI: CHEBI:1881 IUPAC Name: 2-(4-hydroxyphenoxy)acetic acid SMILES: C1=CC(=CC=C1O)OCC(=O)O

PubChem CID 15881
CAS 1878-84-8
Molecular Weight (g/mol) 168.15
ChEBI CHEBI:1881
MDL Number MFCD00014362
SMILES C1=CC(=CC=C1O)OCC(=O)O
Synonym 4-hydroxyphenoxyacetic acid,4-hydroxyphenoxy acetic acid,2-4-hydroxyphenoxy acetic acid,4-hydroxypheoxyacetate,acetic acid, 4-hydroxyphenoxy,4-hydroxy-phenoxy-acetic acid,p-hydroxyphenoxyacetic acid,acetic acid, 2-4-hydroxyphenoxy,acetic acid, p-hydroxyphenoxy,4-carboxymethoxy phenol
IUPAC Name 2-(4-hydroxyphenoxy)acetic acid
InChI Key PKGWLCZTTHWKIZ-UHFFFAOYSA-N
Molecular Formula C8H8O4
6

2-(3,5-difluorophenyl)acetic acid, Thermo Scientific™

CAS: 105184-38-1 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 InChI Key: IGGNSAVLXJKCNH-UHFFFAOYSA-N Synonym: 3,5-difluorophenylacetic acid,2-3,5-difluorophenyl acetic acid,3,5-difluorophenylaceticacid,3,5-difluorobenzeneacetic acid,3,5-difluorophenyl acetic acid,3,5-difluoro-phenyl-acetic acid,benzeneacetic acid, 3,5-difluoro,3,5-diifluorophenylacetic acid,3,5-difluorophenylac PubChem CID: 145424 IUPAC Name: 2-(3,5-difluorophenyl)acetic acid SMILES: C1=C(C=C(C=C1F)F)CC(=O)O

PubChem CID 145424
CAS 105184-38-1
Molecular Weight (g/mol) 172.131
SMILES C1=C(C=C(C=C1F)F)CC(=O)O
Synonym 3,5-difluorophenylacetic acid,2-3,5-difluorophenyl acetic acid,3,5-difluorophenylaceticacid,3,5-difluorobenzeneacetic acid,3,5-difluorophenyl acetic acid,3,5-difluoro-phenyl-acetic acid,benzeneacetic acid, 3,5-difluoro,3,5-diifluorophenylacetic acid,3,5-difluorophenylac
IUPAC Name 2-(3,5-difluorophenyl)acetic acid
InChI Key IGGNSAVLXJKCNH-UHFFFAOYSA-N
Molecular Formula C8H6F2O2
7

(alpha,alpha,alpha-Trifluoro-p-tolyl)acetic acid, 98%

CAS: 32857-62-8 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD00004352 InChI Key: HNORVZDAANCHAY-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenylacetic acid,2-4-trifluoromethyl phenyl acetic acid,4-trifluoromethylphenylacetic acid,4-trifluoromethyl phenyl acetic acid,alpha,alpha,alpha-trifluoro-p-tolyl acetic acid,benzeneacetic acid, 4-trifluoromethyl,p-trifluoromethyl phenylacetic acid,p-trifluoromethylphenylacetic acid,alpha,alpha,alpha-trifluoro-4-tolyl acetic acid PubChem CID: 118342 IUPAC Name: 2-[4-(trifluoromethyl)phenyl]acetic acid SMILES: OC(=O)CC1=CC=C(C=C1)C(F)(F)F

PubChem CID 118342
CAS 32857-62-8
Molecular Weight (g/mol) 204.15
MDL Number MFCD00004352
SMILES OC(=O)CC1=CC=C(C=C1)C(F)(F)F
Synonym 4-trifluoromethyl phenylacetic acid,2-4-trifluoromethyl phenyl acetic acid,4-trifluoromethylphenylacetic acid,4-trifluoromethyl phenyl acetic acid,alpha,alpha,alpha-trifluoro-p-tolyl acetic acid,benzeneacetic acid, 4-trifluoromethyl,p-trifluoromethyl phenylacetic acid,p-trifluoromethylphenylacetic acid,alpha,alpha,alpha-trifluoro-4-tolyl acetic acid
IUPAC Name 2-[4-(trifluoromethyl)phenyl]acetic acid
InChI Key HNORVZDAANCHAY-UHFFFAOYSA-N
Molecular Formula C9H7F3O2
8

2-Bromo-5-fluorophenyl acetic acid, 96%, Thermo Scientific Chemicals

CAS: 739336-26-6 Molecular Formula: C8H6BrFO2 Molecular Weight (g/mol): 233.036 MDL Number: MFCD03094440 InChI Key: BPNWLZNAKZSBHH-UHFFFAOYSA-N Synonym: 2-bromo-5-fluorophenylacetic acid,2-2-bromo-5-fluorophenyl acetic acid,2-bromo-5-fluorophenyl acetic acid,2-bromo-5-fluorophenylaceticacid,2-bromo-5-fulorophenylacetic acid,benzeneacetic acid, 2-bromo-5-fluoro,2-bromo-5-fluoro-phenyl-acetic acid,pubchem16327,2-2-bromo-5-fluoro-phenyl acetic acid,acmc-209osx PubChem CID: 2773927 IUPAC Name: 2-(2-bromo-5-fluorophenyl)acetic acid SMILES: C1=CC(=C(C=C1F)CC(=O)O)Br

PubChem CID 2773927
CAS 739336-26-6
Molecular Weight (g/mol) 233.036
MDL Number MFCD03094440
SMILES C1=CC(=C(C=C1F)CC(=O)O)Br
Synonym 2-bromo-5-fluorophenylacetic acid,2-2-bromo-5-fluorophenyl acetic acid,2-bromo-5-fluorophenyl acetic acid,2-bromo-5-fluorophenylaceticacid,2-bromo-5-fulorophenylacetic acid,benzeneacetic acid, 2-bromo-5-fluoro,2-bromo-5-fluoro-phenyl-acetic acid,pubchem16327,2-2-bromo-5-fluoro-phenyl acetic acid,acmc-209osx
IUPAC Name 2-(2-bromo-5-fluorophenyl)acetic acid
InChI Key BPNWLZNAKZSBHH-UHFFFAOYSA-N
Molecular Formula C8H6BrFO2
9

2-[3,5-di(tert-butyl)-4-hydroxyphenyl]acetic acid, Thermo Scientific™

CAS: 1611-03-6 Molecular Formula: C16H24O3 Molecular Weight (g/mol): 264.365 InChI Key: QLMGIWHWWWXXME-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxyphenylacetic acid,3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,benzeneacetic acid,3,5-bis 1,1-dimethylethyl-4-hydroxy,acmc-1bvft,4-hydroxy-3,5-di-t-butylphenylacetic acid,3,5-di-t-butyl-4-hydroxyphenyl-acetic acid,4-hydroxy-3,5-di-t-butyl-phenylacetic acid,3,5-di-tert-butyl-4-hydroxybenzeneacetic acid PubChem CID: 2775110 IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)O

PubChem CID 2775110
CAS 1611-03-6
Molecular Weight (g/mol) 264.365
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)O
Synonym 3,5-di-tert-butyl-4-hydroxyphenylacetic acid,3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,benzeneacetic acid,3,5-bis 1,1-dimethylethyl-4-hydroxy,acmc-1bvft,4-hydroxy-3,5-di-t-butylphenylacetic acid,3,5-di-t-butyl-4-hydroxyphenyl-acetic acid,4-hydroxy-3,5-di-t-butyl-phenylacetic acid,3,5-di-tert-butyl-4-hydroxybenzeneacetic acid
IUPAC Name 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid
InChI Key QLMGIWHWWWXXME-UHFFFAOYSA-N
Molecular Formula C16H24O3
10

Phenoxy-d5-acetic Acid, TRC

CAS: 154492-74-7 Molecular Formula: C8 2H5 H3 O3 Molecular Weight (g/mol): 157.18 Synonym: Acetic acid, phenoxy-d5- (9CI),Phenoxy-d5-acetic acid,Phenoxyacetic acid D5 (phenoxy-D5),2-Phenoxy-d5-acetic acid,2-(Phenyl-d5-oxy)acetic acid,Glycolic acid phenyl-d5 ether,Phenoxyacetic acid-d5,Pentadeuteriophenoxyethanoic acid IUPAC Name: 2-(2,3,4,5,6-pentadeuteriophenoxy)acetic acid SMILES: [2H]c1c([2H])c([2H])c(OCC(=O)O)c([2H])c1[2H]

CAS 154492-74-7
Molecular Weight (g/mol) 157.18
SMILES [2H]c1c([2H])c([2H])c(OCC(=O)O)c([2H])c1[2H]
Synonym Acetic acid, phenoxy-d5- (9CI),Phenoxy-d5-acetic acid,Phenoxyacetic acid D5 (phenoxy-D5),2-Phenoxy-d5-acetic acid,2-(Phenyl-d5-oxy)acetic acid,Glycolic acid phenyl-d5 ether,Phenoxyacetic acid-d5,Pentadeuteriophenoxyethanoic acid
IUPAC Name 2-(2,3,4,5,6-pentadeuteriophenoxy)acetic acid
Molecular Formula C8 2H5 H3 O3
11

Hydroxyzine Acetic Acid Dihydrochloride, TRC

CAS: 83881-56-5 Molecular Formula: C23 H29 Cl N2 O4 . 2 Cl H Molecular Weight (g/mol): 505.86 Synonym: (RS)-2-[2-[2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]-acetic Acid Dihydrochloride,Cetirizine Dihydrochloride Imp. E (EP) as Dihydrochloride,Ethoxycetirizine Dihydrochloride IUPAC Name: 2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]acetic acid;dihydrochloride SMILES: Cl.Cl.OC(=O)COCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3

CAS 83881-56-5
Molecular Weight (g/mol) 505.86
SMILES Cl.Cl.OC(=O)COCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3
Synonym (RS)-2-[2-[2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]-acetic Acid Dihydrochloride,Cetirizine Dihydrochloride Imp. E (EP) as Dihydrochloride,Ethoxycetirizine Dihydrochloride
IUPAC Name 2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]acetic acid;dihydrochloride
Molecular Formula C23 H29 Cl N2 O4 . 2 Cl H
12

2-(4-Chlorophenoxy)acetic Acid, TRC

CAS: 122-88-3 Molecular Formula: C8 H7 Cl O3 Molecular Weight (g/mol): 186.59 Synonym: Acetic acid, (4-chlorophenoxy)- (9CI),Acetic acid, (p-chlorophenoxy)- (8CI),2-(4-Chlorophenoxy)acetic acid,(4-Chlorophenoxy)acetic acid,(p-Chlorophenoxy)acetic acid,2-(p-Chlorophenoxy)acetic acid,4-CPA,BI 12,HP 55,NSC 8769,NSC 9213,P 10,PCPA,Tomatone,Tomatotone,p-CPA IUPAC Name: 2-(4-chlorophenoxy)acetic acid SMILES: OC(=O)COc1ccc(Cl)cc1

CAS 122-88-3
Molecular Weight (g/mol) 186.59
SMILES OC(=O)COc1ccc(Cl)cc1
Synonym Acetic acid, (4-chlorophenoxy)- (9CI),Acetic acid, (p-chlorophenoxy)- (8CI),2-(4-Chlorophenoxy)acetic acid,(4-Chlorophenoxy)acetic acid,(p-Chlorophenoxy)acetic acid,2-(p-Chlorophenoxy)acetic acid,4-CPA,BI 12,HP 55,NSC 8769,NSC 9213,P 10,PCPA,Tomatone,Tomatotone,p-CPA
IUPAC Name 2-(4-chlorophenoxy)acetic acid
Molecular Formula C8 H7 Cl O3
13

4-Chloro-3,5-dimethylphenoxy)acetic Acid, TRC

CAS: 19545-95-0 Molecular Formula: C10H11ClO3 Molecular Weight (g/mol): 214.65 Synonym: (4-Chloro-3,5-dimethylphenoxy)acetic Acid,[(4-chloro-3,5-xylyl)oxy]acetic Acid;2-(4-Chloro-3,5-dimethylphenoxy)acetic Acid; IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)acetic acid SMILES: ClC1=C(C)C=C(OCC(O)=O)C=C1C

CAS 19545-95-0
Molecular Weight (g/mol) 214.65
SMILES ClC1=C(C)C=C(OCC(O)=O)C=C1C
Synonym (4-Chloro-3,5-dimethylphenoxy)acetic Acid,[(4-chloro-3,5-xylyl)oxy]acetic Acid;2-(4-Chloro-3,5-dimethylphenoxy)acetic Acid;
IUPAC Name 2-(4-chloro-3,5-dimethylphenoxy)acetic acid
Molecular Formula C10H11ClO3
14

[4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid, TRC

CAS: 13402-97-6 Molecular Formula: C16 H24 O3 Molecular Weight (g/mol): 264.36 IUPAC Name: 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetic acid SMILES: CC(C)(C)CC(C)(C)c1ccc(OCC(=O)O)cc1

CAS 13402-97-6
Molecular Weight (g/mol) 264.36
SMILES CC(C)(C)CC(C)(C)c1ccc(OCC(=O)O)cc1
IUPAC Name 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetic acid
Molecular Formula C16 H24 O3