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.

136 – 150 of 55,543 results

136

4-tert-Butylcatechol, 98%

CAS: 98-29-3 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00002201 InChI Key: XESZUVZBAMCAEJ-UHFFFAOYSA-N Synonym: 4-tert-butylcatechol,p-tert-butylcatechol,4-tert-butylpyrocatechol,p-tert-butyl catechol,4-tert-butyl benzene-1,2-diol,4-t-butylpyrocatechol,p-tert-butylpyrocatechol,4-t-butylcatechol,1,2-benzenediol, 4-1,1-dimethylethyl,4-tert-butylcatechin PubChem CID: 7381 IUPAC Name: 4-tert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC=C(O)C(O)=C1

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Specifications

PubChem CID	7381
CAS	98-29-3
Molecular Weight (g/mol)	166.22
MDL Number	MFCD00002201
SMILES	CC(C)(C)C1=CC=C(O)C(O)=C1
Synonym	4-tert-butylcatechol,p-tert-butylcatechol,4-tert-butylpyrocatechol,p-tert-butyl catechol,4-tert-butyl benzene-1,2-diol,4-t-butylpyrocatechol,p-tert-butylpyrocatechol,4-t-butylcatechol,1,2-benzenediol, 4-1,1-dimethylethyl,4-tert-butylcatechin
IUPAC Name	4-tert-butylbenzene-1,2-diol
InChI Key	XESZUVZBAMCAEJ-UHFFFAOYSA-N
Molecular Formula	C10H14O2

137

Terephthaldicarboxaldehyde, 98%

CAS: 623-27-8 Molecular Formula: C₈H₆O₂ Molecular Weight (g/mol): 134.13 MDL Number: MFCD00006949 InChI Key: KUCOHFSKRZZVRO-UHFFFAOYSA-N Synonym: 1,4-benzenedicarboxaldehyde,p-phthalaldehyde,terephthaldehyde,terephthaldialdehyde,terephthaladehyde,terephthaldicarboxaldehyde,terephthalic aldehyde,1,4-phthalaldehyde,p-formylbenzaldehyde,terephtaldehyde PubChem CID: 12173 IUPAC Name: terephthalaldehyde SMILES: C1=CC(=CC=C1C=O)C=O

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Specifications

PubChem CID	12173
CAS	623-27-8
Molecular Weight (g/mol)	134.13
MDL Number	MFCD00006949
SMILES	C1=CC(=CC=C1C=O)C=O
Synonym	1,4-benzenedicarboxaldehyde,p-phthalaldehyde,terephthaldehyde,terephthaldialdehyde,terephthaladehyde,terephthaldicarboxaldehyde,terephthalic aldehyde,1,4-phthalaldehyde,p-formylbenzaldehyde,terephtaldehyde
IUPAC Name	terephthalaldehyde
InChI Key	KUCOHFSKRZZVRO-UHFFFAOYSA-N
Molecular Formula	C₈H₆O₂

138

2-Chlorobenzaldehyde, 99%

CAS: 89-98-5 Molecular Formula: C₇H₅ClO Molecular Weight (g/mol): 140.57 MDL Number: MFCD00003304 InChI Key: FPYUJUBAXZAQNL-UHFFFAOYSA-N Synonym: o-chlorobenzaldehyde,chlorobenzaldehyde,benzaldehyde, 2-chloro,benzaldehyde, o-chloro,2-chlorbenzaldehyd,2-clorobenzaldeide,o-chloorbenzaldehyde,usaf m-7,2-chloorbenzaldehyde,o-chlorobenzenecarboxaldehyde PubChem CID: 6996 IUPAC Name: 2-chlorobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)Cl

Pricing & Availability
Specifications

PubChem CID	6996
CAS	89-98-5
Molecular Weight (g/mol)	140.57
MDL Number	MFCD00003304
SMILES	C1=CC=C(C(=C1)C=O)Cl
Synonym	o-chlorobenzaldehyde,chlorobenzaldehyde,benzaldehyde, 2-chloro,benzaldehyde, o-chloro,2-chlorbenzaldehyd,2-clorobenzaldeide,o-chloorbenzaldehyde,usaf m-7,2-chloorbenzaldehyde,o-chlorobenzenecarboxaldehyde
IUPAC Name	2-chlorobenzaldehyde
InChI Key	FPYUJUBAXZAQNL-UHFFFAOYSA-N
Molecular Formula	C₇H₅ClO

139

2,3,4,5,6-Pentafluorostyrene, 98%, stab. with 250ppm 4-tert-butylcatechol

CAS: 653-34-9 Molecular Formula: C8H3F5 Molecular Weight (g/mol): 194.104 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

Pricing & Availability
Specifications

PubChem CID	69556
CAS	653-34-9
Molecular Weight (g/mol)	194.104
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

140

Cumene, 99.9%, extra pure

CAS: 98-82-8 Molecular Formula: C₉H₁₂ Molecular Weight (g/mol): 120.19 MDL Number: MFCD00008881 InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N Synonym: isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano PubChem CID: 7406 ChEBI: CHEBI:34656 IUPAC Name: cumene SMILES: CC(C)C1=CC=CC=C1

Pricing & Availability
Specifications

PubChem CID	7406
CAS	98-82-8
Molecular Weight (g/mol)	120.19
ChEBI	CHEBI:34656
MDL Number	MFCD00008881
SMILES	CC(C)C1=CC=CC=C1
Synonym	isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano
IUPAC Name	cumene
InChI Key	RWGFKTVRMDUZSP-UHFFFAOYSA-N
Molecular Formula	C₉H₁₂

141

1,3-Dibromobenzene, 97%

CAS: 108-36-1 Molecular Formula: C6H4Br2 Molecular Weight (g/mol): 235.91 MDL Number: MFCD00000078 InChI Key: JSRLURSZEMLAFO-UHFFFAOYSA-N Synonym: m-dibromobenzene,benzene, 1,3-dibromo,benzene, m-dibromo,unii-74ef6kh8tc,1,3-dibromo-benzene,74ef6kh8tc,1,3-dibromo benzene,3,5-dibromobenzene,1,3-dibrormobenzene,1, 3-dibromobenzene PubChem CID: 7927 ChEBI: CHEBI:37151 IUPAC Name: 1,3-dibromobenzene SMILES: BrC1=CC(Br)=CC=C1

Pricing & Availability
Specifications

PubChem CID	7927
CAS	108-36-1
Molecular Weight (g/mol)	235.91
ChEBI	CHEBI:37151
MDL Number	MFCD00000078
SMILES	BrC1=CC(Br)=CC=C1
Synonym	m-dibromobenzene,benzene, 1,3-dibromo,benzene, m-dibromo,unii-74ef6kh8tc,1,3-dibromo-benzene,74ef6kh8tc,1,3-dibromo benzene,3,5-dibromobenzene,1,3-dibrormobenzene,1, 3-dibromobenzene
IUPAC Name	1,3-dibromobenzene
InChI Key	JSRLURSZEMLAFO-UHFFFAOYSA-N
Molecular Formula	C6H4Br2

142

4-Fluorobenzylamine, 98+%

CAS: 140-75-0 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.146 MDL Number: MFCD00008120 InChI Key: IIFVWLUQBAIPMJ-UHFFFAOYSA-N Synonym: 4-fluorobenzylamine,4-fluorophenyl methanamine,benzenemethanamine, 4-fluoro,p-fluorobenzylamine,benzylamine, p-fluoro,p-fluorobenzyl amine,4-fluoro-benzylamine,1-4-fluorophenyl methanamine,4-fluorobenzyl amine,chembl12392 PubChem CID: 67326 IUPAC Name: (4-fluorophenyl)methanamine SMILES: C1=CC(=CC=C1CN)F

Pricing & Availability
Specifications

PubChem CID	67326
CAS	140-75-0
Molecular Weight (g/mol)	125.146
MDL Number	MFCD00008120
SMILES	C1=CC(=CC=C1CN)F
Synonym	4-fluorobenzylamine,4-fluorophenyl methanamine,benzenemethanamine, 4-fluoro,p-fluorobenzylamine,benzylamine, p-fluoro,p-fluorobenzyl amine,4-fluoro-benzylamine,1-4-fluorophenyl methanamine,4-fluorobenzyl amine,chembl12392
IUPAC Name	(4-fluorophenyl)methanamine
InChI Key	IIFVWLUQBAIPMJ-UHFFFAOYSA-N
Molecular Formula	C7H8FN

143

3,4-Dimethoxybenzylamine, 97%

CAS: 5763-61-1 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.21 MDL Number: MFCD00008116 InChI Key: DIVNUTGTTIRPQA-UHFFFAOYSA-N Synonym: 3,4-dimethoxybenzylamine,veratrylamine,3,4-dimethoxyphenyl methanamine,benzenemethanamine, 3,4-dimethoxy,1-3,4-dimethoxyphenyl methanamine,benzylamine, 3,4-dimethoxy,3,4-dimethoxyphenyl methylamine,veratrylamin,pubchem7394,acmc-1altc PubChem CID: 79832 IUPAC Name: (3,4-dimethoxyphenyl)methanamine SMILES: COC1=CC=C(CN)C=C1OC

Pricing & Availability
Specifications

PubChem CID	79832
CAS	5763-61-1
Molecular Weight (g/mol)	167.21
MDL Number	MFCD00008116
SMILES	COC1=CC=C(CN)C=C1OC
Synonym	3,4-dimethoxybenzylamine,veratrylamine,3,4-dimethoxyphenyl methanamine,benzenemethanamine, 3,4-dimethoxy,1-3,4-dimethoxyphenyl methanamine,benzylamine, 3,4-dimethoxy,3,4-dimethoxyphenyl methylamine,veratrylamin,pubchem7394,acmc-1altc
IUPAC Name	(3,4-dimethoxyphenyl)methanamine
InChI Key	DIVNUTGTTIRPQA-UHFFFAOYSA-N
Molecular Formula	C9H13NO2

144

5-Sulfosalicylic acid dihydrate, 98%

CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

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Specifications

PubChem CID	2723734
CAS	5965-83-3
Molecular Weight (g/mol)	250.27
MDL Number	MFCD00007508,MFCD00149540
SMILES	C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Synonym	2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
InChI Key	NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula	C9H14O6S

145

2-Chloro-4-(trifluoromethyl)aniline, 98%

CAS: 39885-50-2 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.57 MDL Number: MFCD00042563 InChI Key: MBBUTABXEITVNY-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl aniline,4-amino-3-chlorobenzotrifluoride,4-amino-5-chloro-benzotrifluoride,benzenamine, 2-chloro-4-trifluoromethyl,3-chloro-4-aminobenzotrifluoride,2-chloro-4-trifluoromethyl-phenylamine,2-chloro-4-trifluoromethyl benzenamine,2-chloro-4-trifluoromethyl phenylamine,4-amino-3-chloro-benzotrifluoride,pubchem2474 PubChem CID: 162001 IUPAC Name: 2-chloro-4-(trifluoromethyl)aniline SMILES: NC1=CC=C(C=C1Cl)C(F)(F)F

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Specifications

PubChem CID	162001
CAS	39885-50-2
Molecular Weight (g/mol)	195.57
MDL Number	MFCD00042563
SMILES	NC1=CC=C(C=C1Cl)C(F)(F)F
Synonym	2-chloro-4-trifluoromethyl aniline,4-amino-3-chlorobenzotrifluoride,4-amino-5-chloro-benzotrifluoride,benzenamine, 2-chloro-4-trifluoromethyl,3-chloro-4-aminobenzotrifluoride,2-chloro-4-trifluoromethyl-phenylamine,2-chloro-4-trifluoromethyl benzenamine,2-chloro-4-trifluoromethyl phenylamine,4-amino-3-chloro-benzotrifluoride,pubchem2474
IUPAC Name	2-chloro-4-(trifluoromethyl)aniline
InChI Key	MBBUTABXEITVNY-UHFFFAOYSA-N
Molecular Formula	C7H5ClF3N

146

3,5-Diaminobenzoic acid, 96%, may contain up to 3% moisture

CAS: 535-87-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007807 InChI Key: UENRXLSRMCSUSN-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid PubChem CID: 12062 IUPAC Name: 3,5-diaminobenzoic acid SMILES: C1=C(C=C(C=C1N)N)C(=O)O

Pricing & Availability
Specifications

PubChem CID	12062
CAS	535-87-5
Molecular Weight (g/mol)	152.153
MDL Number	MFCD00007807
SMILES	C1=C(C=C(C=C1N)N)C(=O)O
Synonym	benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid
IUPAC Name	3,5-diaminobenzoic acid
InChI Key	UENRXLSRMCSUSN-UHFFFAOYSA-N
Molecular Formula	C7H8N2O2

147

4-Bromoaniline, 96%, pract.

CAS: 106-40-1 Molecular Formula: C₆H₆BrN Molecular Weight (g/mol): 172.02 MDL Number: MFCD00007822 InChI Key: WDFQBORIUYODSI-UHFFFAOYSA-N Synonym: p-bromoaniline,4-bromobenzenamine,benzenamine, 4-bromo,p-bromophenylamine,aniline, p-bromo,4-bromo-aniline,4-bromobenzeneamine,p-bromo aniline,4-bromanilinu,4-bromo-phenylamine PubChem CID: 7807 IUPAC Name: 4-bromoaniline SMILES: C1=CC(=CC=C1N)Br

Pricing & Availability
Specifications

PubChem CID	7807
CAS	106-40-1
Molecular Weight (g/mol)	172.02
MDL Number	MFCD00007822
SMILES	C1=CC(=CC=C1N)Br
Synonym	p-bromoaniline,4-bromobenzenamine,benzenamine, 4-bromo,p-bromophenylamine,aniline, p-bromo,4-bromo-aniline,4-bromobenzeneamine,p-bromo aniline,4-bromanilinu,4-bromo-phenylamine
IUPAC Name	4-bromoaniline
InChI Key	WDFQBORIUYODSI-UHFFFAOYSA-N
Molecular Formula	C₆H₆BrN

148

Thermo Scientific Chemicals 5-Sulfosalicylic acid dihydrate, 99+%

CAS: 5965-83-3 | C9H14O6S | 250.27 g/mol

Pricing & Availability
Specifications

Molecular Weight (g/mol)	250.27
CAS Min %	99.0
InChI Key	NFYHZVWMQHQKRU-UHFFFAOYSA-N
PubChem CID	2723734
Name Note	p.a.
Percent Purity	99+%
Fieser	01,1118
Infrared Spectrum	Authentic
Formula Weight	254.22
Melting Point	106.0°C to 110.0°C
CAS Max %	100.0
Color	White
Physical Form	Crystalline Powder
Chemical Name or Material	5-Sulfosalicylic acid dihydrate
SMILES	C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Merck Index	15, 9094
Assay Percent Range	99+%
CAS	97-05-2
Health Hazard 3	GHS P Statement IF SWALLOWED: rinse mouth. Do NOT induce vomiting. Wear protective gloves/protective clothing/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,if pre
MDL Number	MFCD00007508,MFCD00149540
Health Hazard 2	GHS H Statement Causes severe skin burns and eye damage. Harmful if swallowed.
Solubility Information	Solubility in water: 127g/L (20°C). Other solubilities: soluble in alcohol and ether
Packaging	Plastic bottle
Health Hazard 1	GHS Signal Word: Danger
Synonym	2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
Beilstein	11, 411
Molecular Formula	C9H14O6S

149

Methyl 4-hydroxybenzoate, 99%

CAS: 99-76-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002352 InChI Key: LXCFILQKKLGQFO-UHFFFAOYSA-N Synonym: methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m PubChem CID: 7456 ChEBI: CHEBI:31835 IUPAC Name: methyl 4-hydroxybenzoate SMILES: COC(=O)C1=CC=C(C=C1)O

Pricing & Availability
Specifications

PubChem CID	7456
CAS	99-76-3
Molecular Weight (g/mol)	152.149
ChEBI	CHEBI:31835
MDL Number	MFCD00002352
SMILES	COC(=O)C1=CC=C(C=C1)O
Synonym	methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m
IUPAC Name	methyl 4-hydroxybenzoate
InChI Key	LXCFILQKKLGQFO-UHFFFAOYSA-N
Molecular Formula	C8H8O3

150

m-Toluic acid, 99%

CAS: 99-04-7 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002523 InChI Key: GPSDUZXPYCFOSQ-UHFFFAOYSA-N Synonym: m-toluic acid,m-toluylic acid,3-toluic acid,benzoic acid, 3-methyl,meta-toluic acid,m-methylbenzoic acid,beta-methylbenzoic acid,3-methyl-benzoic acid,beta-bethylbenzoic acid,unii-1ua7k8eext PubChem CID: 7418 ChEBI: CHEBI:10589 IUPAC Name: 3-methylbenzoic acid SMILES: CC1=CC=CC(=C1)C(O)=O

Pricing & Availability
Specifications

PubChem CID	7418
CAS	99-04-7
Molecular Weight (g/mol)	136.15
ChEBI	CHEBI:10589
MDL Number	MFCD00002523
SMILES	CC1=CC=CC(=C1)C(O)=O
Synonym	m-toluic acid,m-toluylic acid,3-toluic acid,benzoic acid, 3-methyl,meta-toluic acid,m-methylbenzoic acid,beta-methylbenzoic acid,3-methyl-benzoic acid,beta-bethylbenzoic acid,unii-1ua7k8eext
IUPAC Name	3-methylbenzoic acid
InChI Key	GPSDUZXPYCFOSQ-UHFFFAOYSA-N
Molecular Formula	C8H8O2

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Benzene and substituted derivatives

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