5-Amino-2-chlorophenol

HCID 80676

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Basic information

CAS: 6358-06-1
Standard SMILES: Nc1ccc(Cl)c(O)c1
InChIKey: JSCNCRWPXOTDDZ-UHFFFAOYSA-N
Molecular formula: C6H6ClNO
Average molar mass: 143.57 g/mol
Monoisotopic mass: 143.01379149

Names & identifiers

Preferred name: 5-Amino-2-chlorophenol
IUPAC: 5-amino-2-chlorophenol
English name: 2-Chloro-5-aminophenol
Molecular formula: C6H6ClNO
Molecular weight: 143.57

Names & synonyms

2-Chloro-5-aminophenol5-Amino-2-chlorophenolPhenol, 5-amino-2-chloro-3-Amino-6-chlorophenolBRN 2081092DTXSID1073369JSCNCRWPXOTDDZ-UHFFFAOYSA-4-13-00-01000 (Beilstein Handbook Reference)RefChem:101933DTXCID0043975677-109-0InChI=1/C6H6ClNO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H,8H2

Show more names

2-Chloro-5-Aminopheno5-amino-2-chloro-pheno2-ch1oro-5-aminophenol5-azanyl-2-chloro-phenol5-Amino-2-chlorophenol >

6358-06-14-CHLORO-3-HYDROXYANILINE5-amino-2-chloro-phenolMFCD017078583-hydroxy-4-chloroaniline4-chloro-3-hydroxy anilineSCHEMBL1014786CS-W013317

Database identifiers

CAS: 6358-06-1
PubChem CID: 80676
DTXSID: DTXSID1073369
EC Number: 677-109-0
Nikkaji: J81.199H

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

Physicochemical properties

Melting point: 160 °C · 160 °C
Boiling point: 185.5 °C · 185.5°C (rough estimate)
Density: 1.2028 · 1.2028 (rough estimate)
refractive index: 1.5618 · 1.5618 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: DMSO, Methanol
form: Powder
pka: 8.55 · 8.55±0.10(Predicted)
color: Gray
Sensitive: Light Sensitive
InChIKey: JSCNCRWPXOTDDZ-UHFFFAOYSA-N
CAS DataBase Reference: 6358 · 6358-06-1(CAS DataBase Reference)
EPA Substance Registry System: 5 · Phenol, 5-amino-2-chloro- (6358-06-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H302-H312-H332-H335
Precautionary statements: 261 · P261-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Safety Statements: 24 · 24/25
RTECS: 5720000 · SJ5720000
HazardClass: 6.1 · 6.1
HS Code: 29089990 · 29089990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

rtecs: SJ5720000
hs_code: 29089990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25
hazard_class: 6.1
Hazard statements: H315-H319-H302-H312-H332-H335
Precautionary statements: P261-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

Uses5-Amino-2-chlorophenol is used in the synthesis of antimalarial quinolones. Also used in the synthesis of potent anti-HIV agents based upon pyrimidinylphenylamine 1.