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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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

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Specifications

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

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

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Specifications

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

Bis(2-ethylhexyl) terephthalate, 97%

CAS: 6422-86-2 Molecular Formula: C₂₄H₃₈O₄ Molecular Weight (g/mol): 390.55 MDL Number: MFCD00072256 InChI Key: RWPICVVBGZBXNA-UHFFFAOYSA-N Synonym: bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester PubChem CID: 22932 IUPAC Name: bis(2-ethylhexyl) benzene-1,4-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC

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Specifications

PubChem CID	22932
CAS	6422-86-2
Molecular Weight (g/mol)	390.55
MDL Number	MFCD00072256
SMILES	CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
Synonym	bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester
IUPAC Name	bis(2-ethylhexyl) benzene-1,4-dicarboxylate
InChI Key	RWPICVVBGZBXNA-UHFFFAOYSA-N
Molecular Formula	C₂₄H₃₈O₄

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

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Specifications

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

Sodium phenoxide, 98%

CAS: 139-02-6 Molecular Formula: C6H5NaO Molecular Weight (g/mol): 116.10 MDL Number: MFCD00013134 InChI Key: NESLWCLHZZISNB-UHFFFAOYSA-M Synonym: sodium phenoxide,sodium phenolate,sodium phenate,phenolate sodium,sodium benzenolate,sodium carbolate,phenol sodium,phenol sodium salt,phenol, sodium salt,naoph PubChem CID: 4445035 ChEBI: CHEBI:52476 SMILES: [Na+].[O-]C1=CC=CC=C1

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Specifications

PubChem CID	4445035
CAS	139-02-6
Molecular Weight (g/mol)	116.10
ChEBI	CHEBI:52476
MDL Number	MFCD00013134
SMILES	[Na+].[O-]C1=CC=CC=C1
Synonym	sodium phenoxide,sodium phenolate,sodium phenate,phenolate sodium,sodium benzenolate,sodium carbolate,phenol sodium,phenol sodium salt,phenol, sodium salt,naoph
InChI Key	NESLWCLHZZISNB-UHFFFAOYSA-M
Molecular Formula	C6H5NaO

Dibenzoyl peroxide, 97% (dry wt.), wet with 25% water

CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00003071 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N Synonym: benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide PubChem CID: 7187 ChEBI: CHEBI:82405 IUPAC Name: benzoyl benzenecarboperoxoate SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

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Specifications

PubChem CID	7187
CAS	94-36-0
Molecular Weight (g/mol)	242.23
ChEBI	CHEBI:82405
MDL Number	MFCD00003071
SMILES	C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
Synonym	benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide
IUPAC Name	benzoyl benzenecarboperoxoate
InChI Key	OMPJBNCRMGITSC-UHFFFAOYSA-N
Molecular Formula	C14H10O4

m-Tolyl acetate, 97%

CAS: 111072-31-2 Molecular Formula: C22H16N7NaO13S2 Molecular Weight (g/mol): 673.52 MDL Number: MFCD00083517 InChI Key: JACYMBNQPPWQML-UHFFFAOYSA-M Synonym: xtt PubChem CID: 131668615 IUPAC Name: sodium;2-(2-methoxy-4-nitro-5-sulfonatophenyl)-3-(2-methoxy-4-nitro-5-sulfophenyl)-N-phenyltetrazol-3-ium-5-carboximidate SMILES: [Na+].COC1=C(C=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O)N1N=C(N=[N+]1C1=C(OC)C=C(C(=C1)S([O-])(=O)=O)[N+]([O-])=O)C(=O)NC1=CC=CC=C1

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Specifications

PubChem CID	131668615
CAS	111072-31-2
Molecular Weight (g/mol)	673.52
MDL Number	MFCD00083517
SMILES	[Na+].COC1=C(C=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O)N1N=C(N=[N+]1C1=C(OC)C=C(C(=C1)S([O-])(=O)=O)[N+]([O-])=O)C(=O)NC1=CC=CC=C1
Synonym	xtt
IUPAC Name	sodium;2-(2-methoxy-4-nitro-5-sulfonatophenyl)-3-(2-methoxy-4-nitro-5-sulfophenyl)-N-phenyltetrazol-3-ium-5-carboximidate
InChI Key	JACYMBNQPPWQML-UHFFFAOYSA-M
Molecular Formula	C22H16N7NaO13S2

Phenylhydrazine Hydrochloride, 99+%

CAS: 59-88-1 Molecular Formula: C6H9ClN2 Molecular Weight (g/mol): 144.60 MDL Number: MFCD00012924 InChI Key: JOVOSQBPPZZESK-UHFFFAOYSA-N Synonym: phenylhydrazine hydrochloride,phenylhydrazinium chloride,phenylhydrazine-hcl,phenylhydrazine monohydrochloride,phenylhydrazine hcl,hydrazine, phenyl-, monohydrochloride,unii-h7qfk49svd,phenylhydrazin hydrochlorid,phenylhydrazine.hcl,ccris 5707 PubChem CID: 60962 IUPAC Name: phenylhydrazine;hydrochloride SMILES: [H+].[Cl-].NNC1=CC=CC=C1

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Specifications

PubChem CID	60962
CAS	59-88-1
Molecular Weight (g/mol)	144.60
MDL Number	MFCD00012924
SMILES	[H+].[Cl-].NNC1=CC=CC=C1
Synonym	phenylhydrazine hydrochloride,phenylhydrazinium chloride,phenylhydrazine-hcl,phenylhydrazine monohydrochloride,phenylhydrazine hcl,hydrazine, phenyl-, monohydrochloride,unii-h7qfk49svd,phenylhydrazin hydrochlorid,phenylhydrazine.hcl,ccris 5707
IUPAC Name	phenylhydrazine;hydrochloride
InChI Key	JOVOSQBPPZZESK-UHFFFAOYSA-N
Molecular Formula	C6H9ClN2

5,5'-Dithiobis(2-nitrobenzoic acid), 99%

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	6254
CAS	69-78-3
Molecular Weight (g/mol)	396.34
ChEBI	CHEBI:86228
MDL Number	MFCD00007140
SMILES	OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym	dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name	5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key	KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula	C14H8N2O8S2

o-Tolidine, 98%

CAS: 119-93-7 Molecular Formula: C14H16N2 Molecular Weight (g/mol): 212.296 MDL Number: MFCD00014773 InChI Key: NUIURNJTPRWVAP-UHFFFAOYSA-N Synonym: o-tolidine,3,3'-dimethylbenzidine,orthotolidine,diaminoditolyl,2-tolidine,diaminotolyl,bianisidine,3,3'-tolidine,3,3'-dimethylbiphenyl-4,4'-diamine,4,4'-bi-o-toluidine PubChem CID: 8413 ChEBI: CHEBI:34320 IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N

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Specifications

PubChem CID	8413
CAS	119-93-7
Molecular Weight (g/mol)	212.296
ChEBI	CHEBI:34320
MDL Number	MFCD00014773
SMILES	CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N
Synonym	o-tolidine,3,3'-dimethylbenzidine,orthotolidine,diaminoditolyl,2-tolidine,diaminotolyl,bianisidine,3,3'-tolidine,3,3'-dimethylbiphenyl-4,4'-diamine,4,4'-bi-o-toluidine
IUPAC Name	4-(4-amino-3-methylphenyl)-2-methylaniline
InChI Key	NUIURNJTPRWVAP-UHFFFAOYSA-N
Molecular Formula	C14H16N2

p-Anisidine, 99%

CAS: 104-94-9 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00007864 InChI Key: BHAAPTBBJKJZER-UHFFFAOYSA-N Synonym: p-anisidine,4-anisidine,4-methoxybenzenamine,4-aminoanisole,p-aminoanisole,para-anisidine,p-methoxyaniline,benzenamine, 4-methoxy,4-methoxybenzeneamine,p-anisylamine PubChem CID: 7732 ChEBI: CHEBI:82388 IUPAC Name: 4-methoxyaniline SMILES: COC1=CC=C(C=C1)N

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Specifications

PubChem CID	7732
CAS	104-94-9
Molecular Weight (g/mol)	123.155
ChEBI	CHEBI:82388
MDL Number	MFCD00007864
SMILES	COC1=CC=C(C=C1)N
Synonym	p-anisidine,4-anisidine,4-methoxybenzenamine,4-aminoanisole,p-aminoanisole,para-anisidine,p-methoxyaniline,benzenamine, 4-methoxy,4-methoxybenzeneamine,p-anisylamine
IUPAC Name	4-methoxyaniline
InChI Key	BHAAPTBBJKJZER-UHFFFAOYSA-N
Molecular Formula	C7H9NO

p-Toluenesulfonyl chloride, 98%

CAS: 98-59-9 Molecular Formula: C7H7ClO2S Molecular Weight (g/mol): 190.64 MDL Number: MFCD00007450 InChI Key: YYROPELSRYBVMQ-UHFFFAOYSA-N Synonym: tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride PubChem CID: 7397 IUPAC Name: 4-methylbenzenesulfonyl chloride SMILES: CC1=CC=C(C=C1)S(Cl)(=O)=O

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Specifications

PubChem CID	7397
CAS	98-59-9
Molecular Weight (g/mol)	190.64
MDL Number	MFCD00007450
SMILES	CC1=CC=C(C=C1)S(Cl)(=O)=O
Synonym	tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride
IUPAC Name	4-methylbenzenesulfonyl chloride
InChI Key	YYROPELSRYBVMQ-UHFFFAOYSA-N
Molecular Formula	C7H7ClO2S

Triphenylphosphine, 99%

CAS: 603-35-0 Molecular Formula: C18H15P Molecular Weight (g/mol): 262.29 MDL Number: MFCD00003043 MFCD20489348 InChI Key: RIOQSEWOXXDEQQ-UHFFFAOYSA-N Synonym: triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin PubChem CID: 11776 IUPAC Name: triphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	11776
CAS	603-35-0
Molecular Weight (g/mol)	262.29
MDL Number	MFCD00003043 MFCD20489348
SMILES	C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin
IUPAC Name	triphenylphosphane
InChI Key	RIOQSEWOXXDEQQ-UHFFFAOYSA-N
Molecular Formula	C18H15P

Benzyl bromide, 99%

CAS: 100-39-0 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.037 MDL Number: MFCD00000172 InChI Key: AGEZXYOZHKGVCM-UHFFFAOYSA-N Synonym: benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite PubChem CID: 7498 ChEBI: CHEBI:59858 IUPAC Name: bromomethylbenzene SMILES: C1=CC=C(C=C1)CBr

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Specifications

PubChem CID	7498
CAS	100-39-0
Molecular Weight (g/mol)	171.037
ChEBI	CHEBI:59858
MDL Number	MFCD00000172
SMILES	C1=CC=C(C=C1)CBr
Synonym	benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite
IUPAC Name	bromomethylbenzene
InChI Key	AGEZXYOZHKGVCM-UHFFFAOYSA-N
Molecular Formula	C7H7Br

Diphenyl ether, 99%

CAS: 101-84-8 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00003034 InChI Key: USIUVYZYUHIAEV-UHFFFAOYSA-N Synonym: diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl PubChem CID: 7583 ChEBI: CHEBI:39258 IUPAC Name: phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2

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Specifications

PubChem CID	7583
CAS	101-84-8
Molecular Weight (g/mol)	170.211
ChEBI	CHEBI:39258
MDL Number	MFCD00003034
SMILES	C1=CC=C(C=C1)OC2=CC=CC=C2
Synonym	diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl
IUPAC Name	phenoxybenzene
InChI Key	USIUVYZYUHIAEV-UHFFFAOYSA-N
Molecular Formula	C12H10O

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