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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3,556 – 3,570 of 57,008 results

3,556

6-Nitroveratraldehyde, 96%

CAS: 20357-25-9 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.17 MDL Number: MFCD00007134 InChI Key: YWSPWKXREVSQCA-UHFFFAOYSA-N Synonym: 6-nitroveratraldehyde,dmnb,3,4-dimethoxy-6-nitrobenzaldehyde,4,5-dimethoxy-2-nitro-benzaldehyde,dna-pk inhibitor,benzaldehyde, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzaldehyde,dna-dependent protein kinase inhibitor,2-nitro-4,5-bis methyloxy benzaldehyde,pubchem8213 PubChem CID: 88505 IUPAC Name: 4,5-dimethoxy-2-nitrobenzaldehyde SMILES: COC1=CC(C=O)=C(C=C1OC)[N+]([O-])=O

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Specifications

PubChem CID	88505
CAS	20357-25-9
Molecular Weight (g/mol)	211.17
MDL Number	MFCD00007134
SMILES	COC1=CC(C=O)=C(C=C1OC)[N+]([O-])=O
Synonym	6-nitroveratraldehyde,dmnb,3,4-dimethoxy-6-nitrobenzaldehyde,4,5-dimethoxy-2-nitro-benzaldehyde,dna-pk inhibitor,benzaldehyde, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzaldehyde,dna-dependent protein kinase inhibitor,2-nitro-4,5-bis methyloxy benzaldehyde,pubchem8213
IUPAC Name	4,5-dimethoxy-2-nitrobenzaldehyde
InChI Key	YWSPWKXREVSQCA-UHFFFAOYSA-N
Molecular Formula	C9H9NO5

3,557

4-(thien-2-ylmethyl)benzylamine hydrochloride, 97%, Thermo Scientific™

CAS: 1112459-82-1 Molecular Formula: C12H14ClNS Molecular Weight (g/mol): 239.761 MDL Number: MFCD12198118 InChI Key: BRDMSBXGZSSVJT-UHFFFAOYSA-N Synonym: 4-thien-2-ylmethyl benzylamine hydrochloride,4-thiophen-2-ylmethyl phenyl methanamine hydrochloride,4-2-thienylmethyl phenyl methylamine, chloride,4-thien-2-ylmethyl phenyl methylamine hydrochloride,1-4-thiophen-2-ylmethyl phenyl methanamine hydrochloride,1-4-thiophen-2-yl methyl phenyl methanamine-hydrogen chloride 1/1 PubChem CID: 43811053 IUPAC Name: [4-(thiophen-2-ylmethyl)phenyl]methanamine;hydrochloride SMILES: C1=CSC(=C1)CC2=CC=C(C=C2)CN.Cl

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Specifications

PubChem CID	43811053
CAS	1112459-82-1
Molecular Weight (g/mol)	239.761
MDL Number	MFCD12198118
SMILES	C1=CSC(=C1)CC2=CC=C(C=C2)CN.Cl
Synonym	4-thien-2-ylmethyl benzylamine hydrochloride,4-thiophen-2-ylmethyl phenyl methanamine hydrochloride,4-2-thienylmethyl phenyl methylamine, chloride,4-thien-2-ylmethyl phenyl methylamine hydrochloride,1-4-thiophen-2-ylmethyl phenyl methanamine hydrochloride,1-4-thiophen-2-yl methyl phenyl methanamine-hydrogen chloride 1/1
IUPAC Name	[4-(thiophen-2-ylmethyl)phenyl]methanamine;hydrochloride
InChI Key	BRDMSBXGZSSVJT-UHFFFAOYSA-N
Molecular Formula	C12H14ClNS

3,558

Tetraphenylphosphine imide, 97%

CAS: 2325-27-1 Molecular Formula: C24H20NP Molecular Weight (g/mol): 353.41 MDL Number: MFCD00003044 InChI Key: PTLOPIHJOPWUNN-UHFFFAOYSA-N Synonym: tetraphenylphosphine imide,n-triphenylphosphoranylidene aniline,phenylimino triphenylphosphorane,phosphine imide, tetraphenyl,benzenamine, n-triphenylphosphoranylidene,tetraphenylphosphinimine,triphenylphosphine phenylimide,benzenamine,n-triphenylphosphoranylidene,n,1,1,1-tetraphenyl-??-phosphanimine,triphenyl phenylimino PubChem CID: 75352 IUPAC Name: triphenyl(phenylimino)-$l^{5}-phosphane SMILES: C1=CC=C(C=C1)N=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	75352
CAS	2325-27-1
Molecular Weight (g/mol)	353.41
MDL Number	MFCD00003044
SMILES	C1=CC=C(C=C1)N=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	tetraphenylphosphine imide,n-triphenylphosphoranylidene aniline,phenylimino triphenylphosphorane,phosphine imide, tetraphenyl,benzenamine, n-triphenylphosphoranylidene,tetraphenylphosphinimine,triphenylphosphine phenylimide,benzenamine,n-triphenylphosphoranylidene,n,1,1,1-tetraphenyl-??-phosphanimine,triphenyl phenylimino
IUPAC Name	triphenyl(phenylimino)-$l^{5}-phosphane
InChI Key	PTLOPIHJOPWUNN-UHFFFAOYSA-N
Molecular Formula	C24H20NP

3,559

4,4-Diphenyl-2-butanone, 98%

CAS: 5409-60-9 Molecular Formula: C16H16O Molecular Weight (g/mol): 224.303 MDL Number: MFCD00017619 InChI Key: FPHXYKLKNOEKTQ-UHFFFAOYSA-N Synonym: 4,4-diphenyl-2-butanone,4,4'-diphenyl-2-butanone,benzhydrylaceton,acmc-20amsh,4,4-diphenyl-butan-2-one,2-butanone,4,4-diphenyl,methyl-2,2-diphenylethyl ketone PubChem CID: 79421 IUPAC Name: 4,4-diphenylbutan-2-one SMILES: CC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2

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Specifications

PubChem CID	79421
CAS	5409-60-9
Molecular Weight (g/mol)	224.303
MDL Number	MFCD00017619
SMILES	CC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2
Synonym	4,4-diphenyl-2-butanone,4,4'-diphenyl-2-butanone,benzhydrylaceton,acmc-20amsh,4,4-diphenyl-butan-2-one,2-butanone,4,4-diphenyl,methyl-2,2-diphenylethyl ketone
IUPAC Name	4,4-diphenylbutan-2-one
InChI Key	FPHXYKLKNOEKTQ-UHFFFAOYSA-N
Molecular Formula	C16H16O

3,560

{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol, 97%, Thermo Scientific™

CAS: 892502-29-3 Molecular Formula: C12H11F3N2O Molecular Weight (g/mol): 256.228 MDL Number: MFCD09817511 InChI Key: HLMRFDCLSUXVQC-UHFFFAOYSA-N Synonym: 2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl phenyl methanol,2-2-methyl-5-trifluoromethyl pyrazol-3-yl phenyl methanol,2-1-methyl-3-trifluoromethyl pyrazol-5-yl phenyl methan-1-ol,2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl benzyl alcohol,benzenemethanol,2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl PubChem CID: 24229659 IUPAC Name: [2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol SMILES: CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2CO

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Specifications

PubChem CID	24229659
CAS	892502-29-3
Molecular Weight (g/mol)	256.228
MDL Number	MFCD09817511
SMILES	CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2CO
Synonym	2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl phenyl methanol,2-2-methyl-5-trifluoromethyl pyrazol-3-yl phenyl methanol,2-1-methyl-3-trifluoromethyl pyrazol-5-yl phenyl methan-1-ol,2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl benzyl alcohol,benzenemethanol,2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl
IUPAC Name	[2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol
InChI Key	HLMRFDCLSUXVQC-UHFFFAOYSA-N
Molecular Formula	C12H11F3N2O

3,561

Veratrole, Spectrum™ Chemical

CAS: 91-16-7

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Specifications

CAS	91-16-7

3,562

2-[3-(Dimethylamino)propoxy]benzylamine, 97%, Thermo Scientific™

CAS: 916766-87-5 Molecular Formula: C12H20N2O Molecular Weight (g/mol): 208.305 MDL Number: MFCD09064996 InChI Key: CWYPVGNYPWEJLK-UHFFFAOYSA-N Synonym: 2-3-dimethylamino propoxy benzylamine,2-3-dimethylamino propoxy phenyl methanamine,3-2-aminomethyl phenoxy-n,n-dimethylpropan-1-amine,3-2-aminomethyl phenoxy propyl dimethylamine,benzenemethanamine, 2-3-dimethylamino propoxy,3-2-aminomethyl phenoxy-n,n-dimethylpropylamine PubChem CID: 21465422 IUPAC Name: 3-[2-(aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine SMILES: CN(C)CCCOC1=CC=CC=C1CN

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Specifications

PubChem CID	21465422
CAS	916766-87-5
Molecular Weight (g/mol)	208.305
MDL Number	MFCD09064996
SMILES	CN(C)CCCOC1=CC=CC=C1CN
Synonym	2-3-dimethylamino propoxy benzylamine,2-3-dimethylamino propoxy phenyl methanamine,3-2-aminomethyl phenoxy-n,n-dimethylpropan-1-amine,3-2-aminomethyl phenoxy propyl dimethylamine,benzenemethanamine, 2-3-dimethylamino propoxy,3-2-aminomethyl phenoxy-n,n-dimethylpropylamine
IUPAC Name	3-[2-(aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
InChI Key	CWYPVGNYPWEJLK-UHFFFAOYSA-N
Molecular Formula	C12H20N2O

3,563

N-Acetyl-N'-phenylhydrazine, 98%

CAS: 114-83-0 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00008672 InChI Key: UICBCXONCUFSOI-UHFFFAOYSA-N Synonym: 1-acetyl-2-phenylhydrazine,hydracetin,acetylphenylhydrazine,pyrodin,pyrodine,acetic acid, 2-phenylhydrazide,n-acetyl-n'-phenylhydrazine,n'-phenylacethydrazide,acetic acid phenylhydrazone,n 1-acetylphenylhydrazine PubChem CID: 8247 IUPAC Name: N'-phenylacetohydrazide SMILES: CC(=O)NNC1=CC=CC=C1

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Specifications

PubChem CID	8247
CAS	114-83-0
Molecular Weight (g/mol)	150.181
MDL Number	MFCD00008672
SMILES	CC(=O)NNC1=CC=CC=C1
Synonym	1-acetyl-2-phenylhydrazine,hydracetin,acetylphenylhydrazine,pyrodin,pyrodine,acetic acid, 2-phenylhydrazide,n-acetyl-n'-phenylhydrazine,n'-phenylacethydrazide,acetic acid phenylhydrazone,n 1-acetylphenylhydrazine
IUPAC Name	N'-phenylacetohydrazide
InChI Key	UICBCXONCUFSOI-UHFFFAOYSA-N
Molecular Formula	C8H10N2O

3,564

2-Phenoxybenzoyl chloride, TECH, Thermo Scientific™

CAS: 40501-36-8 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.663 MDL Number: MFCD03424711 InChI Key: BMGKQFRMINVVPP-UHFFFAOYSA-N Synonym: benzoylchloride, 2-phenoxy,phenoxybenzoyl chloride,2-phenoxy benzoyl chloride,2-phenoxy-benzoyl chloride,benzoyl chloride, 2-phenoxy,2-phenoxybenzoic acid chloride,2-chlorocarbonyl diphenyl ether PubChem CID: 11075303 IUPAC Name: 2-phenoxybenzoyl chloride SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)Cl

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Specifications

PubChem CID	11075303
CAS	40501-36-8
Molecular Weight (g/mol)	232.663
MDL Number	MFCD03424711
SMILES	C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)Cl
Synonym	benzoylchloride, 2-phenoxy,phenoxybenzoyl chloride,2-phenoxy benzoyl chloride,2-phenoxy-benzoyl chloride,benzoyl chloride, 2-phenoxy,2-phenoxybenzoic acid chloride,2-chlorocarbonyl diphenyl ether
IUPAC Name	2-phenoxybenzoyl chloride
InChI Key	BMGKQFRMINVVPP-UHFFFAOYSA-N
Molecular Formula	C13H9ClO2

3,565

1-Fluoro-3,5-dimethoxybenzene, 98%

CAS: 52189-63-6 Molecular Formula: C8H9FO2 Molecular Weight (g/mol): 156.16 MDL Number: MFCD00012445 InChI Key: IWFKMNAEFPEIOY-UHFFFAOYSA-N Synonym: 1,3-dimethoxy-5-fluorobenzene,benzene, 1-fluoro-3,5-dimethoxy,3,5-dimethoxyfluorobenzene,pubchem3049,acmc-209wz0,3,5-dimethoxy fluorobenzene,ksc595k6b,3,5-dimethoxy-1-fluorobenzene,1-fluoro-3,5-dimethoxy benzene,benzene,1-fluoro-3,5-dimethoxy PubChem CID: 2774257 IUPAC Name: 1-fluoro-3,5-dimethoxybenzene SMILES: COC1=CC(OC)=CC(F)=C1

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Specifications

PubChem CID	2774257
CAS	52189-63-6
Molecular Weight (g/mol)	156.16
MDL Number	MFCD00012445
SMILES	COC1=CC(OC)=CC(F)=C1
Synonym	1,3-dimethoxy-5-fluorobenzene,benzene, 1-fluoro-3,5-dimethoxy,3,5-dimethoxyfluorobenzene,pubchem3049,acmc-209wz0,3,5-dimethoxy fluorobenzene,ksc595k6b,3,5-dimethoxy-1-fluorobenzene,1-fluoro-3,5-dimethoxy benzene,benzene,1-fluoro-3,5-dimethoxy
IUPAC Name	1-fluoro-3,5-dimethoxybenzene
InChI Key	IWFKMNAEFPEIOY-UHFFFAOYSA-N
Molecular Formula	C8H9FO2

3,566

2-Nitro-4-(trifluoromethyl)benzoic acid, 98%

CAS: 320-94-5 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD00007142 InChI Key: MYSAXQPTXWKDPQ-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethyl benzoic acid,2-nitro-4-trifluoromethylbenzoic acid,ntfa,4-trifluoromethyl-2-nitrobenzoic acid,benzoic acid, 2-nitro-4-trifluoromethyl,unii-k9m35sv4p3,2-nitro-4-trifluoromethyl-benzoic acid,pubchem4539,acmc-1ahai,2ntf-boa PubChem CID: 642096 SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	642096
CAS	320-94-5
Molecular Weight (g/mol)	235.118
MDL Number	MFCD00007142
SMILES	C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
Synonym	2-nitro-4-trifluoromethyl benzoic acid,2-nitro-4-trifluoromethylbenzoic acid,ntfa,4-trifluoromethyl-2-nitrobenzoic acid,benzoic acid, 2-nitro-4-trifluoromethyl,unii-k9m35sv4p3,2-nitro-4-trifluoromethyl-benzoic acid,pubchem4539,acmc-1ahai,2ntf-boa
InChI Key	MYSAXQPTXWKDPQ-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO4

3,567

Phthalamic acid, 99%

CAS: 88-97-1 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD00025476 InChI Key: CYMRPDYINXWJFU-UHFFFAOYSA-N Synonym: phthalamic acid,phthalamidic acid,phthalamide acid,phthalic monoamide,phthalic acid monoamide,o-carbamoylbenzoic acid,benzoic acid, 2-aminocarbonyl,benzoic acid, o-carbamoyl,unii-v344h4pf3y,2-aminocarbonyl benzoic acid PubChem CID: 6957 ChEBI: CHEBI:50736 IUPAC Name: 2-carbamoylbenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)N)C(=O)O

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Specifications

PubChem CID	6957
CAS	88-97-1
Molecular Weight (g/mol)	165.148
ChEBI	CHEBI:50736
MDL Number	MFCD00025476
SMILES	C1=CC=C(C(=C1)C(=O)N)C(=O)O
Synonym	phthalamic acid,phthalamidic acid,phthalamide acid,phthalic monoamide,phthalic acid monoamide,o-carbamoylbenzoic acid,benzoic acid, 2-aminocarbonyl,benzoic acid, o-carbamoyl,unii-v344h4pf3y,2-aminocarbonyl benzoic acid
IUPAC Name	2-carbamoylbenzoic acid
InChI Key	CYMRPDYINXWJFU-UHFFFAOYSA-N
Molecular Formula	C8H7NO3

3,568

2,4,5-Trifluorobenzoic acid, 98%

CAS: 446-17-3 Molecular Formula: C7H2F3O2 Molecular Weight (g/mol): 175.09 MDL Number: MFCD00013306 InChI Key: AKAMNXFLKYKFOJ-UHFFFAOYSA-M Synonym: 2,4,5-trifluoro-benzoic acid,benzoic acid, 2,4,5-trifluoro,pubchem1346,acmc-209jyu,2,4,5-trifluorobenzoicacid,ksc235o3j,2,4,5-trifluoro benzoic acid,rarechem al bo 0258,akamnxflkykfoj-uhfffaoysa,2,4,5-trifluorobenzoic acid PubChem CID: 521170 IUPAC Name: 2,4,5-trifluorobenzoic acid SMILES: [O-]C(=O)C1=CC(F)=C(F)C=C1F

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Specifications

PubChem CID	521170
CAS	446-17-3
Molecular Weight (g/mol)	175.09
MDL Number	MFCD00013306
SMILES	[O-]C(=O)C1=CC(F)=C(F)C=C1F
Synonym	2,4,5-trifluoro-benzoic acid,benzoic acid, 2,4,5-trifluoro,pubchem1346,acmc-209jyu,2,4,5-trifluorobenzoicacid,ksc235o3j,2,4,5-trifluoro benzoic acid,rarechem al bo 0258,akamnxflkykfoj-uhfffaoysa,2,4,5-trifluorobenzoic acid
IUPAC Name	2,4,5-trifluorobenzoic acid
InChI Key	AKAMNXFLKYKFOJ-UHFFFAOYSA-M
Molecular Formula	C7H2F3O2

3,569

1-Bromo-2,5-dichloro-3-fluorobenzene, 97%, Thermo Scientific Chemicals

CAS: 202865-57-4 Molecular Formula: C6H2BrCl2F Molecular Weight (g/mol): 243.88 MDL Number: MFCD00142585 InChI Key: CAYJMDVKWMVOLG-UHFFFAOYSA-N Synonym: 2,5-dichloro-3-fluorobromobenzene,3-bromo-2,5-dichloro-1-fluorobenzene,pubchem3211,acmc-1cm10,#,2-bromo-6-fluoro-1,4-phenylene dichloride,benzene, 1-bromo-2,5-dichloro-3-fluoro,1-bromanyl-2,5-bis chloranyl-3-fluoranyl-benzene PubChem CID: 618513 IUPAC Name: 1-bromo-2,5-dichloro-3-fluorobenzene SMILES: FC1=CC(Cl)=CC(Br)=C1Cl

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Specifications

PubChem CID	618513
CAS	202865-57-4
Molecular Weight (g/mol)	243.88
MDL Number	MFCD00142585
SMILES	FC1=CC(Cl)=CC(Br)=C1Cl
Synonym	2,5-dichloro-3-fluorobromobenzene,3-bromo-2,5-dichloro-1-fluorobenzene,pubchem3211,acmc-1cm10,#,2-bromo-6-fluoro-1,4-phenylene dichloride,benzene, 1-bromo-2,5-dichloro-3-fluoro,1-bromanyl-2,5-bis chloranyl-3-fluoranyl-benzene
IUPAC Name	1-bromo-2,5-dichloro-3-fluorobenzene
InChI Key	CAYJMDVKWMVOLG-UHFFFAOYSA-N
Molecular Formula	C6H2BrCl2F

3,570

2-chloro-5-(trifluoromethyl)benzene-1-sulfonyl chloride, 97%, Thermo Scientific™

CAS: 54090-08-3 Molecular Formula: C7H3Cl2F3O2S Molecular Weight (g/mol): 279.054 MDL Number: MFCD00052310 InChI Key: ZEYKLMDPUOVUCR-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl benzenesulfonyl chloride,2-chloro-5-trifluoromethyl benzene-1-sulfonyl chloride,2-chloro-5-trifluoromethyl benzenesulphonylchloride,2-chloro-5-trifluoromethyl benzenesulfonylchloride,chloro 2-chloro-5-trifluoromethyl phenyl sulfone,pubchem5106,acmc-209lcy,2-chloro-5-trifluoromethylbenzenesulfonylchloride,2-chloro-5-trifluoromethyl phenylsulfonyl chloride,4-chloro-3-trifluoromethylbenzene sulfonyl chloride PubChem CID: 2734274 IUPAC Name: 2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Cl

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Specifications

PubChem CID	2734274
CAS	54090-08-3
Molecular Weight (g/mol)	279.054
MDL Number	MFCD00052310
SMILES	C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Cl
Synonym	2-chloro-5-trifluoromethyl benzenesulfonyl chloride,2-chloro-5-trifluoromethyl benzene-1-sulfonyl chloride,2-chloro-5-trifluoromethyl benzenesulphonylchloride,2-chloro-5-trifluoromethyl benzenesulfonylchloride,chloro 2-chloro-5-trifluoromethyl phenyl sulfone,pubchem5106,acmc-209lcy,2-chloro-5-trifluoromethylbenzenesulfonylchloride,2-chloro-5-trifluoromethyl phenylsulfonyl chloride,4-chloro-3-trifluoromethylbenzene sulfonyl chloride
IUPAC Name	2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride
InChI Key	ZEYKLMDPUOVUCR-UHFFFAOYSA-N
Molecular Formula	C7H3Cl2F3O2S

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