Basic information
- CAS
15958-19-7- Standard SMILES
Cc1cc(N=Nc2c(O)ccc3ccccc23)c(S(=O)(=O)O)cc1Cl- InChIKey
IYHIFXGFKVJNBB-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O4S
- Average molar mass
- 376.8 g/mol
- Monoisotopic mass
- 376.02845558
Names & identifiers
- Preferred name
- 2-Chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonic acid
- IUPAC
- 5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonic acid
- English name
- 2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonic acid
- Molecular formula
- C17H13ClN2O4S
- Molecular weight
- 376.81
Names & synonyms
15958-19-72-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonic acidV5JEX3KGDALake Red CRed Lake C5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonic acidUNII-V5JEX3KGDAD.C. Red No. 92-Chloro-5-((2-hydroxy-1-naphthyl)azo)toluene-4-sulphonic acidEINECS 240-089-5D&C Red No. 9 parentSCHEMBL92064
Show more names
R-204Pigment red 53 (C.I. 15585)5-Chloro-2-(2-hydroxy-1-naphthylazo)-p-toluenesulfonic acid5-Chloro-2-(2-hydroxy-1-naphtylazo)-4-methylbenzenesulfonic acid2-(2-Hydroxy-1-naphtylazo)-4-methyl-5-chlorobenzenesulfonic acid5-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-4-methyl-Benzenesulfonic acidBenzenesulfonic acid, 5-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-4-methyl-
SCHEMBL4308359DTXSID7047227IYHIFXGFKVJNBB-UHFFFAOYSA-NNS00086344Q272915605-chloro-2-((2-hydroxy-1-naphthalenyl)azo)-4-methylbenzenesulfonic acid5-Chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzene-1-sulfonic acidBENZENESULFONIC ACID, 5-CHLORO-2-(2-(2-HYDROXY-1-NAPHTHALENYL)DIAZENYL)-4-METHYL-
Database identifiers
- CAS
15958-19-7- PubChem CID
- 21239
- DTXSID
DTXSID7047227- UNII
- V5JEX3KGDA
- EC Number
- 240-089-5
- Nikkaji
- J32.270I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 594
Experimental & physicochemical properties
Collision Cross Section187.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3021229]
Physicochemical properties
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- -1.2 · -1.20±0.50(Predicted)
- FDA UNII
- 5 JEX3KGDA · V5JEX3KGDA
- Proposition 65 List
- 9 · D&C Red No. 9
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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