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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (67,704)
Phenols (13,502)
Naphthalenes (5,073)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (564)
Anthracenes (413)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (278)
Pyrenes (229)
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Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
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1-hydroxylamino 2-unsubstituted benzenoids (6)

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3,166 – 3,180 of 78,615 results
3,166

4-Bromomethylbenzenesulfonyl chloride, 95%

CAS: 66176-39-4 Molecular Formula: C7H6BrClO2S Molecular Weight (g/mol): 269.55 MDL Number: MFCD00156129 InChI Key: QXTQWYZHHMQSQH-UHFFFAOYSA-N Synonym: 4-bromomethyl benzenesulfonyl chloride,4-bromomethyl benzene-1-sulfonyl chloride,4-bromomethyl benzenesulfonylchloride,alpha-bromo-p-toluenesulphonyl chloride,alpha-bromo-p-toluenesulfonyl chloride,4-bromomethyl benzenesulphonyl chloride,4-bromomethyl benzene-1-sulfonylchloride,buttpark 94\04-08,4-bromomethyl phenyl chlorosulfone,4-bromomethylene benzenesulfonyl chloride PubChem CID: 2734409 IUPAC Name: 4-(bromomethyl)benzenesulfonyl chloride SMILES: C1=CC(=CC=C1CBr)S(=O)(=O)Cl

PubChem CID 2734409
CAS 66176-39-4
Molecular Weight (g/mol) 269.55
MDL Number MFCD00156129
SMILES C1=CC(=CC=C1CBr)S(=O)(=O)Cl
Synonym 4-bromomethyl benzenesulfonyl chloride,4-bromomethyl benzene-1-sulfonyl chloride,4-bromomethyl benzenesulfonylchloride,alpha-bromo-p-toluenesulphonyl chloride,alpha-bromo-p-toluenesulfonyl chloride,4-bromomethyl benzenesulphonyl chloride,4-bromomethyl benzene-1-sulfonylchloride,buttpark 94\04-08,4-bromomethyl phenyl chlorosulfone,4-bromomethylene benzenesulfonyl chloride
IUPAC Name 4-(bromomethyl)benzenesulfonyl chloride
InChI Key QXTQWYZHHMQSQH-UHFFFAOYSA-N
Molecular Formula C7H6BrClO2S
3,167

1,1-Diphenylethylene, 98%

CAS: 530-48-3 Molecular Formula: C14H12 Molecular Weight (g/mol): 180.25 MDL Number: MFCD00008583 InChI Key: ZMYIIHDQURVDRB-UHFFFAOYSA-N Synonym: 1,1-diphenylethylene,ethene-1,1-diyldibenzene,1,1-diphenylethene,benzene, 1,1'-ethenylidenebis,1-phenylethenyl benzene,unii-bx0l5b6lll,as-diphenylethylene,.alpha.-phenylstyrene,1-phenylvinyl benzene,bx0l5b6lll PubChem CID: 10740 IUPAC Name: 1-phenylethenylbenzene SMILES: C=C(C1=CC=CC=C1)C2=CC=CC=C2

PubChem CID 10740
CAS 530-48-3
Molecular Weight (g/mol) 180.25
MDL Number MFCD00008583
SMILES C=C(C1=CC=CC=C1)C2=CC=CC=C2
Synonym 1,1-diphenylethylene,ethene-1,1-diyldibenzene,1,1-diphenylethene,benzene, 1,1'-ethenylidenebis,1-phenylethenyl benzene,unii-bx0l5b6lll,as-diphenylethylene,.alpha.-phenylstyrene,1-phenylvinyl benzene,bx0l5b6lll
IUPAC Name 1-phenylethenylbenzene
InChI Key ZMYIIHDQURVDRB-UHFFFAOYSA-N
Molecular Formula C14H12
3,168

1-Bromo-4-ethynylbenzene, 98%

CAS: 766-96-1 Molecular Formula: C8H5Br Molecular Weight (g/mol): 181.03 InChI Key: LTLVZQZDXQWLHU-UHFFFAOYSA-N Synonym: 4-bromophenylacetylene,benzene, 1-bromo-4-ethynyl,1-bromo-4-ethynyl-benzene,4-bromophenyl acetylene,4'-bromophenyl acetylene,4'-bromophenylacetylene,p-bromophenylacetylene,p-bromophenyl acetylene,4-bromphenyl acetylene,4-bromo-1-ethynylbenzene PubChem CID: 136603 IUPAC Name: 1-bromo-4-ethynylbenzene SMILES: C#CC1=CC=C(C=C1)Br

PubChem CID 136603
CAS 766-96-1
Molecular Weight (g/mol) 181.03
SMILES C#CC1=CC=C(C=C1)Br
Synonym 4-bromophenylacetylene,benzene, 1-bromo-4-ethynyl,1-bromo-4-ethynyl-benzene,4-bromophenyl acetylene,4'-bromophenyl acetylene,4'-bromophenylacetylene,p-bromophenylacetylene,p-bromophenyl acetylene,4-bromphenyl acetylene,4-bromo-1-ethynylbenzene
IUPAC Name 1-bromo-4-ethynylbenzene
InChI Key LTLVZQZDXQWLHU-UHFFFAOYSA-N
Molecular Formula C8H5Br
3,169

Selectophore™ Bis(2-ethylhexyl) phthalate, MilliporeSigma™ Supelco™

MDL Number: MFCD00009493 Synonym: DEHP; Phthalic acid bis(2-ethylhexyl ester); ′Dioctyl′ phthalate

MDL Number MFCD00009493
Synonym DEHP; Phthalic acid bis(2-ethylhexyl ester); ′Dioctyl′ phthalate
3,170

p-Toluenesulfonamide, 99%

CAS: 70-55-3 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.21 MDL Number: MFCD00011692 InChI Key: LMYRWZFENFIFIT-UHFFFAOYSA-N Synonym: p-toluenesulfonamide,4-toluenesulfonamide,tosylamide,p-tosylamide,benzenesulfonamide, 4-methyl,p-tolylsulfonamide,toluene-4-sulfonamide,tolylsulfonamide,4-methylbenzene-1-sulfonamide,p-toluenesulfamide PubChem CID: 6269 ChEBI: CHEBI:34435 IUPAC Name: 4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N

PubChem CID 6269
CAS 70-55-3
Molecular Weight (g/mol) 171.21
ChEBI CHEBI:34435
MDL Number MFCD00011692
SMILES CC1=CC=C(C=C1)S(=O)(=O)N
Synonym p-toluenesulfonamide,4-toluenesulfonamide,tosylamide,p-tosylamide,benzenesulfonamide, 4-methyl,p-tolylsulfonamide,toluene-4-sulfonamide,tolylsulfonamide,4-methylbenzene-1-sulfonamide,p-toluenesulfamide
IUPAC Name 4-methylbenzenesulfonamide
InChI Key LMYRWZFENFIFIT-UHFFFAOYSA-N
Molecular Formula C7H9NO2S
3,171

4-(Hydroxymethyl)benzeneboronic acid pinacol ester

CAS: 302348-51-2 Molecular Formula: C13H19BO3 Molecular Weight (g/mol): 234.102 MDL Number: MFCD09837617 InChI Key: GZZBZWITJNATOD-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethyl phenylboronic acid pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethylphenylboronic acid pinacol ester,4-hydroxymethyl benzeneboronic acid pinacol ester,2-4-hydroxymethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,benzenemethanol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl alcohol,amtb135 PubChem CID: 11402050 IUPAC Name: [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CO

PubChem CID 11402050
CAS 302348-51-2
Molecular Weight (g/mol) 234.102
MDL Number MFCD09837617
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CO
Synonym 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethyl phenylboronic acid pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethylphenylboronic acid pinacol ester,4-hydroxymethyl benzeneboronic acid pinacol ester,2-4-hydroxymethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,benzenemethanol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl alcohol,amtb135
IUPAC Name [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
InChI Key GZZBZWITJNATOD-UHFFFAOYSA-N
Molecular Formula C13H19BO3
3,172

4-tert-Butylphenoxyacetyl chloride, 98%

CAS: 90734-55-7 Molecular Formula: C12H15ClO2 Molecular Weight (g/mol): 226.70 MDL Number: MFCD00798568 InChI Key: CFTNMBDQWVPSHI-UHFFFAOYSA-N Synonym: 4-tert-butylphenoxyacetyl chloride,4-tert-butylphenoxy acetyl chloride,2-4-tert-butylphenoxy acetyl chloride,2-4-tert-butyl phenoxy acetyl chloride,pubchem14851,4-tert-butylphenoxyacetyl cloride,para-t-butylphenoxyacetyl chloride,4-t-butyl-phenoxy acetyl chloride,4-tert-butyl-phenoxyacetyl chloride PubChem CID: 611195 IUPAC Name: 2-(4-tert-butylphenoxy)acetyl chloride SMILES: CC(C)(C)C1=CC=C(OCC(Cl)=O)C=C1

PubChem CID 611195
CAS 90734-55-7
Molecular Weight (g/mol) 226.70
MDL Number MFCD00798568
SMILES CC(C)(C)C1=CC=C(OCC(Cl)=O)C=C1
Synonym 4-tert-butylphenoxyacetyl chloride,4-tert-butylphenoxy acetyl chloride,2-4-tert-butylphenoxy acetyl chloride,2-4-tert-butyl phenoxy acetyl chloride,pubchem14851,4-tert-butylphenoxyacetyl cloride,para-t-butylphenoxyacetyl chloride,4-t-butyl-phenoxy acetyl chloride,4-tert-butyl-phenoxyacetyl chloride
IUPAC Name 2-(4-tert-butylphenoxy)acetyl chloride
InChI Key CFTNMBDQWVPSHI-UHFFFAOYSA-N
Molecular Formula C12H15ClO2
3,173

2,6-Dichlorophenol, 99%

CAS: 87-65-0 Molecular Formula: C6H4Cl2O Molecular Weight (g/mol): 163.00 MDL Number: MFCD00002176 InChI Key: HOLHYSJJBXSLMV-UHFFFAOYSA-N Synonym: phenol, 2,6-dichloro,2,6-dichlorfenol,2,6-dichlorphenol,rcra waste number u082,2,6-dichloro-phenol,2,6-dichlorfenol czech,unii-q7e9k52w7e,2,6 dichlorophenol,ccris 2511,2,6-dcp PubChem CID: 6899 ChEBI: CHEBI:28457 IUPAC Name: 2,6-dichlorophenol SMILES: OC1=C(Cl)C=CC=C1Cl

PubChem CID 6899
CAS 87-65-0
Molecular Weight (g/mol) 163.00
ChEBI CHEBI:28457
MDL Number MFCD00002176
SMILES OC1=C(Cl)C=CC=C1Cl
Synonym phenol, 2,6-dichloro,2,6-dichlorfenol,2,6-dichlorphenol,rcra waste number u082,2,6-dichloro-phenol,2,6-dichlorfenol czech,unii-q7e9k52w7e,2,6 dichlorophenol,ccris 2511,2,6-dcp
IUPAC Name 2,6-dichlorophenol
InChI Key HOLHYSJJBXSLMV-UHFFFAOYSA-N
Molecular Formula C6H4Cl2O
3,174

4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]morpholine, 97%, Thermo Scientific™

CAS: 364794-79-6 Molecular Formula: C17H26BNO3 Molecular Weight (g/mol): 303.21 MDL Number: MFCD04974052 InChI Key: JOIXYIWXEYXHHG-UHFFFAOYSA-N Synonym: 4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl morpholine,4-morpholinomethyl phenylboronic acid pinacol ester,4-4-morpholinomethyl phenylboronic acid pinacol ester,4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-methylmorpholino phenylboronic acid, pinacol ester,4-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-morpholinomethyl phenylboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-4-morpholin-4-ylmethyl phenyl-1,3,2-dioxaborolane PubChem CID: 2795502 IUPAC Name: 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCOCC2)C=C1

PubChem CID 2795502
CAS 364794-79-6
Molecular Weight (g/mol) 303.21
MDL Number MFCD04974052
SMILES CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCOCC2)C=C1
Synonym 4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl morpholine,4-morpholinomethyl phenylboronic acid pinacol ester,4-4-morpholinomethyl phenylboronic acid pinacol ester,4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-methylmorpholino phenylboronic acid, pinacol ester,4-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-morpholinomethyl phenylboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-4-morpholin-4-ylmethyl phenyl-1,3,2-dioxaborolane
IUPAC Name 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
InChI Key JOIXYIWXEYXHHG-UHFFFAOYSA-N
Molecular Formula C17H26BNO3
3,175

3,5-Dimethylbenzaldehyde, 98%

CAS: 5779-95-3 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00082777 InChI Key: NBEFMISJJNGCIZ-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dimethyl,3,5-dimethyl benzaldehyde,m-xylene-5-carboxaldehyde,3,5-dimethyl-benzaldehyde,pubchem15515,acmc-1arkp,3,5-dimehtylbenzaldehyde,#,ksc494c0b,3,5-dimethylbenzaldehyde PubChem CID: 34225 IUPAC Name: 3,5-dimethylbenzaldehyde SMILES: CC1=CC(=CC(=C1)C=O)C

PubChem CID 34225
CAS 5779-95-3
Molecular Weight (g/mol) 134.178
MDL Number MFCD00082777
SMILES CC1=CC(=CC(=C1)C=O)C
Synonym benzaldehyde, 3,5-dimethyl,3,5-dimethyl benzaldehyde,m-xylene-5-carboxaldehyde,3,5-dimethyl-benzaldehyde,pubchem15515,acmc-1arkp,3,5-dimehtylbenzaldehyde,#,ksc494c0b,3,5-dimethylbenzaldehyde
IUPAC Name 3,5-dimethylbenzaldehyde
InChI Key NBEFMISJJNGCIZ-UHFFFAOYSA-N
Molecular Formula C9H10O
3,176

Aurintricarboxylic acid

CAS: 4431-00-9 Molecular Formula: C22H16O9 Molecular Weight (g/mol): 424.36 MDL Number: MFCD00011663 InChI Key: YETAHXYTPZCNBG-UHFFFAOYNA-N Synonym: aurintricarboxylic acid,aluminon free acid,aluminon,5,5'-3-carboxy-4-oxocyclohexa-2,5-dienylidenemethylene di salicylic acid,benzoic acid, 5-3-carboxy-4-hydroxyphenyl 3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene methyl-2-hydroxy,1,4-cyclohexadiene-1-carboxylic acid, 3-bis 3-carboxy-4-hydroxyphenyl methylene-6-oxo,3,3'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 6-hydroxybenzoic acid,5,5'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 2-hydroxybenzoic acid PubChem CID: 2259 ChEBI: CHEBI:87397 IUPAC Name: 5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxocyclohexa-2,5-dien-1-yl)methyl]-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC(C=CC1=O)C(C1=CC=C(O)C(=C1)C(O)=O)C1=CC=C(O)C(=C1)C(O)=O

PubChem CID 2259
CAS 4431-00-9
Molecular Weight (g/mol) 424.36
ChEBI CHEBI:87397
MDL Number MFCD00011663
SMILES OC(=O)C1=CC(C=CC1=O)C(C1=CC=C(O)C(=C1)C(O)=O)C1=CC=C(O)C(=C1)C(O)=O
Synonym aurintricarboxylic acid,aluminon free acid,aluminon,5,5'-3-carboxy-4-oxocyclohexa-2,5-dienylidenemethylene di salicylic acid,benzoic acid, 5-3-carboxy-4-hydroxyphenyl 3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene methyl-2-hydroxy,1,4-cyclohexadiene-1-carboxylic acid, 3-bis 3-carboxy-4-hydroxyphenyl methylene-6-oxo,3,3'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 6-hydroxybenzoic acid,5,5'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 2-hydroxybenzoic acid
IUPAC Name 5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxocyclohexa-2,5-dien-1-yl)methyl]-2-hydroxybenzoic acid
InChI Key YETAHXYTPZCNBG-UHFFFAOYNA-N
Molecular Formula C22H16O9
3,177

Tetrafluoroterephthalonitrile, 98%

CAS: 1835-49-0 Molecular Formula: C8F4N2 Molecular Weight (g/mol): 200.096 MDL Number: MFCD00001776 InChI Key: PCRSJGWFEMHHEW-UHFFFAOYSA-N Synonym: tetrafluoroterephthalonitrile,2,3,5,6-tetrafluoroterephthalonitrile,diamond 2031,2,3,5,6-tetrafluoro-1,4-benzenedicarbonitrile,1,4-benzenedicarbonitrile, 2,3,5,6-tetrafluoro,1,4-dicyanotetrafluorobenzene,terephthalonitrile, tetrafluoro,perfluoroterephthalonitrile,tetrafluoroterephthalodinitrile,tetrafluorobenzene-1,4-dicarbonitrile PubChem CID: 15783 IUPAC Name: 2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile SMILES: C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)F

PubChem CID 15783
CAS 1835-49-0
Molecular Weight (g/mol) 200.096
MDL Number MFCD00001776
SMILES C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)F
Synonym tetrafluoroterephthalonitrile,2,3,5,6-tetrafluoroterephthalonitrile,diamond 2031,2,3,5,6-tetrafluoro-1,4-benzenedicarbonitrile,1,4-benzenedicarbonitrile, 2,3,5,6-tetrafluoro,1,4-dicyanotetrafluorobenzene,terephthalonitrile, tetrafluoro,perfluoroterephthalonitrile,tetrafluoroterephthalodinitrile,tetrafluorobenzene-1,4-dicarbonitrile
IUPAC Name 2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile
InChI Key PCRSJGWFEMHHEW-UHFFFAOYSA-N
Molecular Formula C8F4N2
3,178

1-Ethynylpyrene, 98%

CAS: 34993-56-1 Molecular Formula: C18H10 Molecular Weight (g/mol): 226.28 MDL Number: MFCD02093933 InChI Key: VEBUBSLYGRMOSZ-UHFFFAOYSA-N Synonym: 1-ethynyl pyrene,pyrene, 1-ethynyl,ethynylpyrene,1-pyrenylethyne,ccris 4256,acmc-20aov2 PubChem CID: 154905 IUPAC Name: 1-ethynylpyrene SMILES: C#CC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34

PubChem CID 154905
CAS 34993-56-1
Molecular Weight (g/mol) 226.28
MDL Number MFCD02093933
SMILES C#CC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34
Synonym 1-ethynyl pyrene,pyrene, 1-ethynyl,ethynylpyrene,1-pyrenylethyne,ccris 4256,acmc-20aov2
IUPAC Name 1-ethynylpyrene
InChI Key VEBUBSLYGRMOSZ-UHFFFAOYSA-N
Molecular Formula C18H10
3,179

1-Chloro-2-iodobenzene, 99%

CAS: 615-41-8 Molecular Formula: C6H4ClI Molecular Weight (g/mol): 238.45 MDL Number: MFCD00001033 InChI Key: MPEOPBCQHNWNFB-UHFFFAOYSA-N Synonym: 2-chloroiodobenzene,o-chloroiodobenzene,o-iodochlorobenzene,2-iodochlorobenzene,benzene, 1-chloro-2-iodo,2-chlorophenyl iodide,2-chloro-1-iodobenzene,1-chloro-2-iodo-benzene,chlorjodbenzol,iodochlorobenzene PubChem CID: 11993 IUPAC Name: 1-chloro-2-iodobenzene SMILES: ClC1=CC=CC=C1I

PubChem CID 11993
CAS 615-41-8
Molecular Weight (g/mol) 238.45
MDL Number MFCD00001033
SMILES ClC1=CC=CC=C1I
Synonym 2-chloroiodobenzene,o-chloroiodobenzene,o-iodochlorobenzene,2-iodochlorobenzene,benzene, 1-chloro-2-iodo,2-chlorophenyl iodide,2-chloro-1-iodobenzene,1-chloro-2-iodo-benzene,chlorjodbenzol,iodochlorobenzene
IUPAC Name 1-chloro-2-iodobenzene
InChI Key MPEOPBCQHNWNFB-UHFFFAOYSA-N
Molecular Formula C6H4ClI
3,180

3-Bromophenyl isothiocyanate, 97%

CAS: 2131-59-1 Molecular Formula: C7H4BrNS Molecular Weight (g/mol): 214.08 MDL Number: MFCD00004803 InChI Key: ZMGMGHNOACSMQN-UHFFFAOYSA-N Synonym: 3-bromophenyl isothiocyanate,m-bromophenyl isothiocyanate,benzene, 1-bromo-3-isothiocyanato,isothiocyanic acid, m-bromophenyl ester,3-bromophenylisothiocyanate,1-bromo-3-isothiocyanato-benzene,acmc-1chhg,m-bromphenylisothiocyanat,zmgmghnoacsmqn-uhfffaoysa,# PubChem CID: 16481 IUPAC Name: 1-bromo-3-isothiocyanatobenzene SMILES: C1=CC(=CC(=C1)Br)N=C=S

PubChem CID 16481
CAS 2131-59-1
Molecular Weight (g/mol) 214.08
MDL Number MFCD00004803
SMILES C1=CC(=CC(=C1)Br)N=C=S
Synonym 3-bromophenyl isothiocyanate,m-bromophenyl isothiocyanate,benzene, 1-bromo-3-isothiocyanato,isothiocyanic acid, m-bromophenyl ester,3-bromophenylisothiocyanate,1-bromo-3-isothiocyanato-benzene,acmc-1chhg,m-bromphenylisothiocyanat,zmgmghnoacsmqn-uhfffaoysa,#
IUPAC Name 1-bromo-3-isothiocyanatobenzene
InChI Key ZMGMGHNOACSMQN-UHFFFAOYSA-N
Molecular Formula C7H4BrNS