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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 (130,196)
Phenols (25,097)
Naphthalenes (6,366)
Phenol esters (4,814)
Unsubstituted Phenols (1,453)
Fluorenes (1,295)
Thiophenols (762)
Anthracenes (515)
Indanes (488)
Phenanthrenes and derivatives (364)
Tetralins (337)
Triphenyl compounds (278)
Pyrenes (277)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (16)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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1,591 – 1,605 of 159,122 results
1,591
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2-Nitroterephthalic acid 1-methyl ester, 97%

CAS: 35092-89-8 Molecular Formula: C9H7NO6 Molecular Weight (g/mol): 225.16 MDL Number: MFCD00024510 InChI Key: MIIADZYPHVTLPR-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl-3-nitrobenzoic acid,1-methyl 2-nitroterephthalate,methyl hydrogen 2-nitroterephthalate,3-nitro-4-carbomethoxybenzoic acid,2-nitroterephthalic acid 1-methyl ester,methyl 2-nitro-4-carboxybenzoate,methyl-2-nitro-4-carboxy-benzoate,4-carbomethoxy-3-nitro-benzoic acid PubChem CID: 98592 IUPAC Name: 4-(methoxycarbonyl)-3-nitrobenzoic acid SMILES: COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O

PubChem CID 98592
CAS 35092-89-8
Molecular Weight (g/mol) 225.16
MDL Number MFCD00024510
SMILES COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O
Synonym 4-methoxycarbonyl-3-nitrobenzoic acid,1-methyl 2-nitroterephthalate,methyl hydrogen 2-nitroterephthalate,3-nitro-4-carbomethoxybenzoic acid,2-nitroterephthalic acid 1-methyl ester,methyl 2-nitro-4-carboxybenzoate,methyl-2-nitro-4-carboxy-benzoate,4-carbomethoxy-3-nitro-benzoic acid
IUPAC Name 4-(methoxycarbonyl)-3-nitrobenzoic acid
InChI Key MIIADZYPHVTLPR-UHFFFAOYSA-N
Molecular Formula C9H7NO6
1,592
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Dimethyl aminoterephthalate, 99%

CAS: 5372-81-6 Molecular Formula: C10H11NO4 Molecular Weight (g/mol): 209.201 MDL Number: MFCD00008427 InChI Key: DSSKDXUDARIMTR-UHFFFAOYSA-N Synonym: dimethyl 2-aminoterephthalate,dimethyl aminoterephthalate,dimethyl 3-aminoterephthalate,1,4-benzenedicarboxylic acid, 2-amino-, dimethyl ester,aminoterephthalic acid dimethyl ester,1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate,unii-91sf4e6i9w,2-aminoterephthalic acid, dimethyl ester,3-amino-4-methoxycarbonylbenzoic acid, methyl ester,terephthalic acid, amino-, dimethyl ester PubChem CID: 79336 IUPAC Name: dimethyl 2-aminobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)N

PubChem CID 79336
CAS 5372-81-6
Molecular Weight (g/mol) 209.201
MDL Number MFCD00008427
SMILES COC(=O)C1=CC(=C(C=C1)C(=O)OC)N
Synonym dimethyl 2-aminoterephthalate,dimethyl aminoterephthalate,dimethyl 3-aminoterephthalate,1,4-benzenedicarboxylic acid, 2-amino-, dimethyl ester,aminoterephthalic acid dimethyl ester,1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate,unii-91sf4e6i9w,2-aminoterephthalic acid, dimethyl ester,3-amino-4-methoxycarbonylbenzoic acid, methyl ester,terephthalic acid, amino-, dimethyl ester
IUPAC Name dimethyl 2-aminobenzene-1,4-dicarboxylate
InChI Key DSSKDXUDARIMTR-UHFFFAOYSA-N
Molecular Formula C10H11NO4
1,593
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p-Quinquephenyl, 98%, Thermo Scientific Chemicals

CAS: 3073-05-0 Molecular Formula: C30H22 Molecular Weight (g/mol): 382.506 MDL Number: MFCD00059012 InChI Key: OMCUOJTVNIHQTI-UHFFFAOYSA-N Synonym: p-quinquephenyl,p-pentaphenyl,1,1':4',1:4,1':4',1-quinquephenyl,p-quinquiphenyl,acmc-209hie,1,4-bis 4-phenylphenyl benzene,1-phenyl-4-4-4-phenylphenyl phenyl benzene,1,1:4,1':4',1-quinquephenyl,4-1,1'-biphenyl-4-yl-4'-phenyl-1,1'-biphenyl PubChem CID: 137813 IUPAC Name: 1,4-bis(4-phenylphenyl)benzene SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5

PubChem CID 137813
CAS 3073-05-0
Molecular Weight (g/mol) 382.506
MDL Number MFCD00059012
SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5
Synonym p-quinquephenyl,p-pentaphenyl,1,1':4',1:4,1':4',1-quinquephenyl,p-quinquiphenyl,acmc-209hie,1,4-bis 4-phenylphenyl benzene,1-phenyl-4-4-4-phenylphenyl phenyl benzene,1,1:4,1':4',1-quinquephenyl,4-1,1'-biphenyl-4-yl-4'-phenyl-1,1'-biphenyl
IUPAC Name 1,4-bis(4-phenylphenyl)benzene
InChI Key OMCUOJTVNIHQTI-UHFFFAOYSA-N
Molecular Formula C30H22
1,594
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2'-Iodo-1,1':3',1″-terphenyl, 99%

CAS: 82777-09-1 Molecular Formula: C18H13I Molecular Weight (g/mol): 356.21 MDL Number: MFCD00185026 InChI Key: RLZYBGOJAWOQMK-UHFFFAOYSA-N Synonym: 2'-iodo-1,1':3',1-terphenyl,rlzybgojawoqmk-uhfffaoysa,2'-iodo-1,1':3',1-terbenzene,2-iodo-3-phenyl-1,1'-biphenyl,1,1':3',1-terphenyl, 2'-iodo,2'-iodo-1,1',3',1 terphenyl PubChem CID: 4078433 IUPAC Name: 2-iodo-1,3-diphenylbenzene SMILES: IC1=C(C=CC=C1C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 4078433
CAS 82777-09-1
Molecular Weight (g/mol) 356.21
MDL Number MFCD00185026
SMILES IC1=C(C=CC=C1C1=CC=CC=C1)C1=CC=CC=C1
Synonym 2'-iodo-1,1':3',1-terphenyl,rlzybgojawoqmk-uhfffaoysa,2'-iodo-1,1':3',1-terbenzene,2-iodo-3-phenyl-1,1'-biphenyl,1,1':3',1-terphenyl, 2'-iodo,2'-iodo-1,1',3',1 terphenyl
IUPAC Name 2-iodo-1,3-diphenylbenzene
InChI Key RLZYBGOJAWOQMK-UHFFFAOYSA-N
Molecular Formula C18H13I
1,595
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3,5-Di-tert-butylbenzoic acid, 99%

CAS: 16225-26-6 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.34 InChI Key: NCTSLPBQVXUAHR-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylbenzoic acid,3,5-di-t-butylbenzoic acid,3,5-ditertbutylbenzoic acid,3,5-di-tert-butylbenzoicacid,3,5-bis tert-butyl benzoic acid,benzoic acid, 3,5-bis 1,1-dimethylethyl,pubchem4953,acmc-209do2,3,5-di-tertbutylbenzoic acid,ksc494i2n PubChem CID: 85339 IUPAC Name: 3,5-ditert-butylbenzoic acid SMILES: CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)C

PubChem CID 85339
CAS 16225-26-6
Molecular Weight (g/mol) 234.34
SMILES CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)C
Synonym 3,5-di-tert-butylbenzoic acid,3,5-di-t-butylbenzoic acid,3,5-ditertbutylbenzoic acid,3,5-di-tert-butylbenzoicacid,3,5-bis tert-butyl benzoic acid,benzoic acid, 3,5-bis 1,1-dimethylethyl,pubchem4953,acmc-209do2,3,5-di-tertbutylbenzoic acid,ksc494i2n
IUPAC Name 3,5-ditert-butylbenzoic acid
InChI Key NCTSLPBQVXUAHR-UHFFFAOYSA-N
Molecular Formula C15H22O2
1,596
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3-n-Propylphenol, 98%

CAS: 621-27-2 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD01632130 InChI Key: MPWGZBWDLMDIHO-UHFFFAOYSA-N Synonym: 3-n-propylphenol,m-propylphenol,phenol, 3-propyl,phenol, m-propyl,unii-593r721cic,1-hydroxy-3-n-propylbenzene,phenol, m-propyl-8ci,phenol, 3-propyl-9ci PubChem CID: 69302 IUPAC Name: 3-propylphenol SMILES: CCCC1=CC(=CC=C1)O

PubChem CID 69302
CAS 621-27-2
Molecular Weight (g/mol) 136.194
MDL Number MFCD01632130
SMILES CCCC1=CC(=CC=C1)O
Synonym 3-n-propylphenol,m-propylphenol,phenol, 3-propyl,phenol, m-propyl,unii-593r721cic,1-hydroxy-3-n-propylbenzene,phenol, m-propyl-8ci,phenol, 3-propyl-9ci
IUPAC Name 3-propylphenol
InChI Key MPWGZBWDLMDIHO-UHFFFAOYSA-N
Molecular Formula C9H12O
1,597
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2-(4-Bromophenyl)-2-propanol, 97%

CAS: 2077-19-2 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD11870096 InChI Key: AOGYBHJTXLXRSM-UHFFFAOYSA-N Synonym: 2-4-bromophenyl propan-2-ol,2-4-bromophenyl-2-propanol,acmc-209fdx,2-4-bromophenyl propan-2-o1,2-4-bromophenyl-propan-2-ol,2-4-bromo-phenyl propan-2-ol,2-4-bromo-phenyl-propan-2-ol,p-bromo-alpha,alpha-dimethylbenzyl alcohol,4-bromo-alpha,alpha-dimethylbenzyl alcohol PubChem CID: 12681920 IUPAC Name: 2-(4-bromophenyl)propan-2-ol SMILES: CC(C)(O)C1=CC=C(Br)C=C1

PubChem CID 12681920
CAS 2077-19-2
Molecular Weight (g/mol) 215.09
MDL Number MFCD11870096
SMILES CC(C)(O)C1=CC=C(Br)C=C1
Synonym 2-4-bromophenyl propan-2-ol,2-4-bromophenyl-2-propanol,acmc-209fdx,2-4-bromophenyl propan-2-o1,2-4-bromophenyl-propan-2-ol,2-4-bromo-phenyl propan-2-ol,2-4-bromo-phenyl-propan-2-ol,p-bromo-alpha,alpha-dimethylbenzyl alcohol,4-bromo-alpha,alpha-dimethylbenzyl alcohol
IUPAC Name 2-(4-bromophenyl)propan-2-ol
InChI Key AOGYBHJTXLXRSM-UHFFFAOYSA-N
Molecular Formula C9H11BrO
1,598
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4-n-Propylphenol, 98%

CAS: 645-56-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002395 InChI Key: KLSLBUSXWBJMEC-UHFFFAOYSA-N Synonym: 4-n-propylphenol,p-propylphenol,phenol, 4-propyl,dihydrochavicol,phenol, p-propyl,1-hydroxy-4-n-propylbenzene,p-n-propylphenol,4-propyl-phenol,p-hydroxypropylbenzene,hydroxypropylbenzene, p PubChem CID: 12580 ChEBI: CHEBI:34434 IUPAC Name: 4-propylphenol SMILES: CCCC1=CC=C(C=C1)O

PubChem CID 12580
CAS 645-56-7
Molecular Weight (g/mol) 136.194
ChEBI CHEBI:34434
MDL Number MFCD00002395
SMILES CCCC1=CC=C(C=C1)O
Synonym 4-n-propylphenol,p-propylphenol,phenol, 4-propyl,dihydrochavicol,phenol, p-propyl,1-hydroxy-4-n-propylbenzene,p-n-propylphenol,4-propyl-phenol,p-hydroxypropylbenzene,hydroxypropylbenzene, p
IUPAC Name 4-propylphenol
InChI Key KLSLBUSXWBJMEC-UHFFFAOYSA-N
Molecular Formula C9H12O
1,599
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3-tert-Butylphenol, 99+%

CAS: 585-34-2 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002300 InChI Key: CYEKUDPFXBLGHH-UHFFFAOYSA-N Synonym: m-tert-butylphenol,phenol, 3-1,1-dimethylethyl,3-t-butylphenol,3-tert-butyl phenol,phenol, m-tert-butyl,3-tert-butyl-phenol,3-tertbutylphenol,3-tert.butylphenol,m-tert.-butylphenol PubChem CID: 11450 ChEBI: CHEBI:34348 IUPAC Name: 3-tert-butylphenol SMILES: CC(C)(C)C1=CC=CC(O)=C1

PubChem CID 11450
CAS 585-34-2
Molecular Weight (g/mol) 150.22
ChEBI CHEBI:34348
MDL Number MFCD00002300
SMILES CC(C)(C)C1=CC=CC(O)=C1
Synonym m-tert-butylphenol,phenol, 3-1,1-dimethylethyl,3-t-butylphenol,3-tert-butyl phenol,phenol, m-tert-butyl,3-tert-butyl-phenol,3-tertbutylphenol,3-tert.butylphenol,m-tert.-butylphenol
IUPAC Name 3-tert-butylphenol
InChI Key CYEKUDPFXBLGHH-UHFFFAOYSA-N
Molecular Formula C10H14O
1,600
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2-Methyl-3-phenyl-1-propene, 99%

CAS: 3290-53-7 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.206 MDL Number: MFCD00039815 InChI Key: MXTNFIYGTWARIN-UHFFFAOYSA-N Synonym: 2-methyl-3-phenyl-1-propene,methallylbenzene,benzene, 2-methyl-2-propenyl,benzene, 2-methylallyl,2-methylprop-2-en-1-yl benzene,2-methyl-2-propenyl benzene,methallyl benzene,2-methylallylbenzene,2-benzyl-1-propene,2-methylallyl benzene PubChem CID: 18687 IUPAC Name: 2-methylprop-2-enylbenzene SMILES: CC(=C)CC1=CC=CC=C1

PubChem CID 18687
CAS 3290-53-7
Molecular Weight (g/mol) 132.206
MDL Number MFCD00039815
SMILES CC(=C)CC1=CC=CC=C1
Synonym 2-methyl-3-phenyl-1-propene,methallylbenzene,benzene, 2-methyl-2-propenyl,benzene, 2-methylallyl,2-methylprop-2-en-1-yl benzene,2-methyl-2-propenyl benzene,methallyl benzene,2-methylallylbenzene,2-benzyl-1-propene,2-methylallyl benzene
IUPAC Name 2-methylprop-2-enylbenzene
InChI Key MXTNFIYGTWARIN-UHFFFAOYSA-N
Molecular Formula C10H12
1,601
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2,6-Difluorophenylacetone, 98%, Thermo Scientific™

CAS: 101712-20-3 Molecular Formula: C9H8F2O Molecular Weight (g/mol): 170.16 InChI Key: LAWHOFKPDMZDLJ-UHFFFAOYSA-N Synonym: 1-2,6-difluorophenyl propan-2-one,2-propanone, 1-2,6-difluorophenyl,2,6-difluorophenylacetone PubChem CID: 2734927 IUPAC Name: 1-(2,6-difluorophenyl)propan-2-one SMILES: CC(=O)CC1=C(C=CC=C1F)F

PubChem CID 2734927
CAS 101712-20-3
Molecular Weight (g/mol) 170.16
SMILES CC(=O)CC1=C(C=CC=C1F)F
Synonym 1-2,6-difluorophenyl propan-2-one,2-propanone, 1-2,6-difluorophenyl,2,6-difluorophenylacetone
IUPAC Name 1-(2,6-difluorophenyl)propan-2-one
InChI Key LAWHOFKPDMZDLJ-UHFFFAOYSA-N
Molecular Formula C9H8F2O
1,602
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Methyl 4-tert-butylbenzoate, 99%, Thermo Scientific™

CAS: 26537-19-9 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00008835 InChI Key: UPIJOAFHOIWPLT-UHFFFAOYSA-N Synonym: methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester PubChem CID: 97433 IUPAC Name: methyl 4-tert-butylbenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OC

PubChem CID 97433
CAS 26537-19-9
Molecular Weight (g/mol) 192.26
MDL Number MFCD00008835
SMILES CC(C)(C)C1=CC=C(C=C1)C(=O)OC
Synonym methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester
IUPAC Name methyl 4-tert-butylbenzoate
InChI Key UPIJOAFHOIWPLT-UHFFFAOYSA-N
Molecular Formula C12H16O2
1,603
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1-Phenyl-1,2-propanedione, 98%

CAS: 579-07-7 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00008755 InChI Key: BVQVLAIMHVDZEL-UHFFFAOYSA-N Synonym: 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone PubChem CID: 11363 ChEBI: CHEBI:63552 IUPAC Name: 1-phenylpropane-1,2-dione SMILES: CC(=O)C(=O)C1=CC=CC=C1

PubChem CID 11363
CAS 579-07-7
Molecular Weight (g/mol) 148.16
ChEBI CHEBI:63552
MDL Number MFCD00008755
SMILES CC(=O)C(=O)C1=CC=CC=C1
Synonym 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone
IUPAC Name 1-phenylpropane-1,2-dione
InChI Key BVQVLAIMHVDZEL-UHFFFAOYSA-N
Molecular Formula C9H8O2
1,604
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Cupferron, 97+%

CAS: 135-20-6 Molecular Formula: C6H9N3O2 Molecular Weight (g/mol): 155.16 MDL Number: MFCD00078422 InChI Key: NJVHCUNZAMFQNA-UHFFFAOYSA-N Synonym: cupferron,copperone,azanyliumylidene n-nitroso-n-oxidoaniline PubChem CID: 2724103 IUPAC Name: azanium;N-oxido-N-phenylnitrous amide SMILES: N.ON(N=O)C1=CC=CC=C1

PubChem CID 2724103
CAS 135-20-6
Molecular Weight (g/mol) 155.16
MDL Number MFCD00078422
SMILES N.ON(N=O)C1=CC=CC=C1
Synonym cupferron,copperone,azanyliumylidene n-nitroso-n-oxidoaniline
IUPAC Name azanium;N-oxido-N-phenylnitrous amide
InChI Key NJVHCUNZAMFQNA-UHFFFAOYSA-N
Molecular Formula C6H9N3O2
1,605
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3,5-Dimethylphenylhydrazine hydrochloride, 97%

CAS: 60481-36-9 Molecular Formula: C8H13ClN2 Molecular Weight (g/mol): 172.656 MDL Number: MFCD00052269 InChI Key: RSBQANBNDXZFIY-UHFFFAOYSA-N Synonym: 3,5-dimethylphenylhydrazine hydrochloride,3,5-dimethylphenyl hydrazine hydrochloride,3,5-dimethylphenylhydrazinehydrochloride,3,5-dimethyl phenylhydrazine hydrochloride,3,5-dimethylphenylhydrazine,hydrazine, 3,5-dimethylphenyl-, monohydrochloride,pubchem6407,ksc491e7r,1-3,5-dimethylphenyl hydrazine hydrochloride,3,5-dimethylphenyl hydrazine-hydrogen chloride 1/1 PubChem CID: 12651341 IUPAC Name: (3,5-dimethylphenyl)hydrazine;hydrochloride SMILES: CC1=CC(=CC(=C1)NN)C.Cl

PubChem CID 12651341
CAS 60481-36-9
Molecular Weight (g/mol) 172.656
MDL Number MFCD00052269
SMILES CC1=CC(=CC(=C1)NN)C.Cl
Synonym 3,5-dimethylphenylhydrazine hydrochloride,3,5-dimethylphenyl hydrazine hydrochloride,3,5-dimethylphenylhydrazinehydrochloride,3,5-dimethyl phenylhydrazine hydrochloride,3,5-dimethylphenylhydrazine,hydrazine, 3,5-dimethylphenyl-, monohydrochloride,pubchem6407,ksc491e7r,1-3,5-dimethylphenyl hydrazine hydrochloride,3,5-dimethylphenyl hydrazine-hydrogen chloride 1/1
IUPAC Name (3,5-dimethylphenyl)hydrazine;hydrochloride
InChI Key RSBQANBNDXZFIY-UHFFFAOYSA-N
Molecular Formula C8H13ClN2