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4-[2-(4-Amino-3-methylphenyl)diazenyl]-3-methylbenzenesulfonic acid

HCID 67124
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
120-68-3
Standard SMILES
Cc1cc(N=Nc2ccc(S(=O)(=O)O)cc2C)ccc1N
InChIKey
OLDIJSAKWOOHRZ-UHFFFAOYSA-N
Molecular formula
C14H15N3O3S
Average molar mass
305.35 g/mol
Monoisotopic mass
305.08341252

Names & identifiers

Preferred name
4-[2-(4-Amino-3-methylphenyl)diazenyl]-3-methylbenzenesulfonic acid
IUPAC
4-[(4-amino-3-methylphenyl)diazenyl]-3-methylbenzenesulfonic acid
English name
6-[(4-amino-m-tolyl)azo]toluene-3-sulphonic acid
Molecular formula
C14H15N3O3S
Molecular weight
305.35

Names & synonyms

120-68-34-(2-(4-Amino-3-methylphenyl)diazenyl)-3-methylbenzenesulfonic acid4-[2-(4-Amino-3-methylphenyl)diazenyl]-3-methylbenzenesulfonic acidRefChem:2870066-[(4-AMINO-M-TOLYL)AZO]TOLUENE-3-SULPHONIC ACID4-[(4-amino-3-methylphenyl)diazenyl]-3-methylbenzenesulfonic acid6-((4-Amino-m-tolyl)azo)toluene-3-sulphonic acidEINECS 204-417-0SCHEMBL7814617SCHEMBL9174709OLDIJSAKWOOHRZ-UHFFFAOYSA-NDTXSID501039726
Show more names
2',3-dimethyl-4-amino-4'-sulfoazobenzene4'-Amino-2,3'-dimethylazobenzene-4-sulfonic acid4-(4-amino-3-methyl-phenyl)azo-3-methyl-benzenesulfonic acid4-(4-amino-3-methylphenyl)diazenyl-3-methylbenzenesulfonic acid4-(4-azanyl-3-methyl-phenyl)diazenyl-3-methyl-benzenesulfonic acidBenzenesulfonic acid, 4-[2-(4-amino-3-methylphenyl)diazenyl]-3-methyl-
NS000415564a(2)-Amino-2,3a(2)-dimethylazobenzene-4-sulfonic acid

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
113 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
474

Physicochemical properties

Density
1.36 · 1.36±0.1 g/cm3(Predicted)
pka
-1.03 · -1.03±0.50(Predicted)

Chemistry & industry

Upstream & downstream products

Downstream products

2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[[2-methyl-4-[(2-methyl-4-sulfophenyl)azo]phenyl]azo]-, disodium saltdisodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-[[2-methyl-4-[(2-methyl-4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonateCROCEIN SCARLET 7B

Suppliers3 total

陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
120-68-3
PubChem CID
67124
DTXSID
DTXSID501039726
EC Number
204-417-0
Nikkaji
J297.766D