Basic information
- CAS
50610-28-1- Standard SMILES
Nc1cc(Cl)c(NCCO)cc1[N+](=O)[O-]- InChIKey
QNJWQAYYVNKOKR-UHFFFAOYSA-N- Molecular formula
- C8H10ClN3O3
- Average molar mass
- 231.63 g/mol
- Monoisotopic mass
- 231.0410689
Names & identifiers
- Preferred name
- 2-((4-Amino-2-chloro-5-nitrophenyl)amino)ethanol
- IUPAC
- 2-(4-amino-2-chloro-5-nitroanilino)ethanol
- English name
- 2-Chloro-5-nitro-N-hydroxyethyl p-phenylenediamine
- Molecular formula
- C8H10ClN3O3
- Molecular weight
- 231.64
Names & synonyms
50610-28-1EINECS 256-652-32-((4-Amino-2-chloro-5-nitrophenyl)amino)ethanolEthanol, 2-((4-amino-2-chloro-5-nitrophenyl)amino)-2-[(4-AMINO-2-CHLORO-5-NITROPHENYL)AMINO]ETHANOLEthanol, 2-[(4-amino-2-chloro-5-nitrophenyl)amino]-2-Nitro-5-chloro-N-(2-hydroxyethyl) p-phenylendiamineRefChem:448821Ethanol, 2-(4-amino-2-chloro-5-nitrophenyl)amino-2-Chloro-5-nitro-N-hydroxyethyl p-phenylenediamine2-(4-amino-2-chloro-5-nitroanilino)ethanol2-chloro-5-nitro-n-hydroxyethyl-p-phenylenediamine
Show more names
2-[(4-amino-2-chloro-5-nitrophenyl)amino]-Ethanol1-AMINO-2-NITRO-4-HYDROXYETHYLAMINE-5-CHLOROBENZENE2-CHLORO-5-NITRO-N-HYDROXYETHYL-PARA-PHENYLENEDIAMINE
12M0RVW0182-Chloro-5-nitro-n-hydroxyethylp-phenylenediamineUNII-12M0RVW018starbld0009823SCHEMBL23909SCHEMBL29378395DTXSID90866157NS00013453
Database identifiers
- CAS
50610-28-1- PubChem CID
- 5490271
- DTXSID
DTXSID90866157- UNII
- 12M0RVW018
- EC Number
- 256-652-3
- Nikkaji
- J261.556H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 130 °C · 130 °C
- Boiling point
- 461.2 · 461.2±45.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- pka
- 14.52 · 14.52±0.10(Predicted)
- Cosmetics Ingredients Functions
- HAIR DYEING
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 12 M0RVW018 · 12M0RVW018
Safety & regulation
GHS classification
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Ethanol, 2-[(4-amino-2-chloro-5-nitrophenyl)amino]-
Ethanol, 2-(4-amino-2-chloro-5-nitrophenyl)amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Ethanol, 2-[(4-amino-2-chloro-5-nitrophenyl)amino]-: Human health tier II assessment
Hazard Classes and CategoriesSkin sensitisation - category 1
Regulatory information
Regulatory Information
Chemical: Ethanol, 2-[(4-amino-2-chloro-5-nitrophenyl)amino]-
Ethanol, 2-(4-amino-2-chloro-5-nitrophenyl)amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Hair dyeing
Suppliers1 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
2 records
Compound notes
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