CAS 39183-17-0 4-Amino-2,3-dichlorophenol (HCID 9877529)

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Basic information

CAS: 39183-17-0
Standard SMILES: Nc1ccc(O)c(Cl)c1Cl
InChIKey: OQHWFUQNSLMSBG-UHFFFAOYSA-N
Molecular formula: C6H5Cl2NO
Average molar mass: 178.01 g/mol
Monoisotopic mass: 176.97481914

Overview

See also: 2,3-Di Chloro-4-Hydroxy Aniline (DCHA) (annotation moved to).

Names & identifiers

Preferred name: 4-Amino-2,3-dichlorophenol
IUPAC: 4-amino-2,3-dichlorophenol
English name: 4-Amino-2,3-dichlorphenol
Molecular formula: C6H5Cl2NO
Molecular weight: 178.02

Names & synonyms

4-amino-2,3-dichlorophenolDTXSID90432174RefChem:517535DTXCID60383003464-070-8952-465-239183-17-04-Amino-2,3-dichlorphenolMFCD14455913Lenvatinib Impurity 882,3-dichloro-4-hydroxyaniline4-Amino-2,3-dichlorophenol;

Show more names

Lenvatinib Impurity 110

4-amino-2,3-dichloro-phenol4-hydroxy-2,3-dichloroanilinePHENOL,4-AMINO-2,3-DICHLORO-5,6-Dichlor-4-aminophenolSCHEMBL1456970SBB089349Glucosamine Hydrochloride Impurity 17AKOS006333262

Database identifiers

CAS: 39183-17-0
PubChem CID: 9877529
DTXSID: DTXSID90432174
EC Number: 464-070-8、952-465-2

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Physicochemical properties

Melting point: 129 °C · >129°C (dec.)
Boiling point: 301.9 · 301.9±42.0 °C(Predicted)
Density: 1.56 · 1.560±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO, Methanol
pka: 7.81 · 7.81±0.23(Predicted)
form: Solid
color: Brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
HS Code: 2922290090 · 2922290090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Hazard information

Regulatory InformationStatus: Active Update: 28-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/8572

Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)

STOT SE 3 (100%)

Safety data

hs_code: 2922290090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
REACH Registrations: Active
Precautionary statements: P271-P261-P280

Chemistry & industry

Applications

Uses4-Amino-2,3-dichlorophenol is used in the synthesis of Fenhexamid and other pyrazine compounds for use in drug formulations in treating inflammation, respiratory disorders and viral infections.