CAS 116632-54-3 2-Chloroquinolin-3-amine (HCID 19972824)

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Basic information

CAS: 116632-54-3
Standard SMILES: Nc1cc2ccccc2nc1Cl
InChIKey: RSYIQSMKUOEULA-UHFFFAOYSA-N
Molecular formula: C9H7ClN2
Average molar mass: 178.62 g/mol
Monoisotopic mass: 178.0297759

Names & identifiers

Preferred name: 2-Chloroquinolin-3-amine
IUPAC: 2-chloroquinolin-3-amine
English name: 2-Chloro-3-aminoquinoline
Molecular formula: C9H7ClN2
Molecular weight: 178.62

Names & synonyms

2-Chloroquinolin-3-amine116632-54-3DTXSID10601587RefChem:470523DTXCID70552344850-444-13-Amino-2-chloroquinoline3-Quinolinamine, 2-chloro-2-CHLORO-3-AMINOQUINOLINEMFCD116567012-chloro-quinolin-3-ylamineSCHEMBL846680

Show more names

2-Chloro-3-quinolinamine2-Chloro-3-aminoquinoline, 95%

RSYIQSMKUOEULA-UHFFFAOYSA-NAC1585AKOS006373421SB68165AS-78698DA-26664SY034210CS-0134557

Database identifiers

CAS: 116632-54-3
PubChem CID: 19972824
DTXSID: DTXSID10601587
EC Number: 850-444-1
Nikkaji: J1.683.495E

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 168 ℃ · 168℃
Boiling point: 320 ℃ · 320℃
Density: 1.363 · 1.363
Flash point: 147 ℃ · 147℃
pka: 0.84 · 0.84±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.