CAS 603-85-0 2-Amino-3-Nitrophenol (HCID 4115495)

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Basic information

CAS: 603-85-0
Standard SMILES: Nc1c(O)cccc1[N+](=O)[O-]
InChIKey: KUCWUAFNGCMZDB-UHFFFAOYSA-N
Molecular formula: C6H6N2O3
Average molar mass: 154.12 g/mol
Monoisotopic mass: 154.03784205

Names & identifiers

Preferred name: 2-Amino-3-Nitrophenol
IUPAC: 2-amino-3-nitrophenol
English name: 2-Amino-3-nitrophenol
Molecular formula: C6H6N2O3
Molecular weight: 154.12

Names & synonyms

2-Amino-3-nitrophenol603-85-0Phenol, 2-amino-3-nitro-2-Hydroxy-6-nitroaniline3-Nitro-2-aminophenol2-Amino-3-hydroxynitrobenzeneCCRIS 2544EINECS 210-060-11-Hydroxy-2-amino-3-nitrobenzeneUNII-A7F97ZPU2WA7F97ZPU2WIMEXINE FO

Show more names

2-Amino-3-nitrophenol >2-Amino-3-nitrophenol,98%2-Amino-3-nitrophenol 98%2-AMino-3-nitrophenol, 98% 5GR2-AMINO-3-NITROPHENOL OEKANAL, 250 MG

KUCWUAFNGCMZDB-UHFFFAOYSA-DTXSID70209063NITRO-2-AMINOPHENOL, 3-2-AMINO-3-NITROPHENOL [INCI]RefChem:85143DTXCID90131554210-060-1InChI=1/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2

Database identifiers

CAS: 603-85-0
PubChem CID: 4115495
DTXSID: DTXSID70209063
UNII: A7F97ZPU2W
EC Number: 210-060-1
Nikkaji: J96.209K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 92.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 156

Experimental & physicochemical properties

Cosmetics · 2 items

Cosmetic ingredients (2-Amino-3-Nitrophenol) -> CIR (Cosmetic Ingredient Review)

Hair dyeing

Physicochemical properties

Melting point: 212 · 212-213 °C (lit.)
Boiling point: 322.46 °C · 322.46°C (rough estimate)
Density: 1.3617 · 1.3617 (estimate)
refractive index: 1.689 · 1.6890 (rough estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 11.23 · 11.23±0.25(Predicted)
form: Powder
color: brown-red
BRN: 2804307 · 2804307
Cosmetics Ingredients Functions: HAIR DYEING
Cosmetic Ingredient Review (CIR): 2 · 2-Amino-3-nitrophenol (603-85-0)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Phenol, 2-amino-3-nitro-

Other Safety InformationIMAP assessments - Phenol, 2-amino-3-nitro-: Human health tier II assessment

Hazard Classes and CategoriesAcute Tox. 4 (13%)

Toxicology

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29222990
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant

Chemistry & industry

Uses & manufacturing

Uses · 2 items

CIR ingredient: 2-Amino-3-Nitrophenol

Synthetic Polymer MALDI Matrix Compounds

Use ClassificationCosmetics -> Hair dyeing

Applications · 1 item

Uses2-Amino-3-nitrophenol has been used:as semipermanent (nonoxidative) hair colorant and as toner in permanent (oxidative) hair dye productsas matrix during visible matrix-assisted laser desorption/ionization (VIS-MALDI) mass spectrometryin preparation of 1,3-benzoxazole-4,7-dione