1-Bromoisoquinolin-3-amine

HCID 289845

Notes Reactions

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Basic information

CAS: 13130-79-5
Standard SMILES: Nc1cc2ccccc2c(Br)n1
InChIKey: PSQUIUNIVDKHJK-UHFFFAOYSA-N
Molecular formula: C9H7BrN2
Average molar mass: 223.07 g/mol
Monoisotopic mass: 221.97926032

Names & identifiers

Preferred name: 1-Bromoisoquinolin-3-amine
IUPAC: 1-bromoisoquinolin-3-amine
English name: 1-BROMOISOQUINOLIN-3-AMINE
Molecular formula: C9H7BrN2
Molecular weight: 223.07

Names & synonyms

1-bromoisoquinolin-3-amine13130-79-53-isoquinolinamine, 1-bromo-DTXSID50302622RefChem:430763DTXCID00253756681-129-5InChI=1/C9H7BrN2/c10-9-7-4-2-1-3-6(7)5-8(11)12-9/h1-5H,(H2,11,123-Amino-1-bromoisoquinolineMFCD001021931-Bromo-3-isoquinolinamine1-bromo-3-isoquinolylamine

Show more names

1-BroMo-iso-3-aMino-quinoline3-Amino-1-bromoisoquinoline 98%3-AMino-1-broMoisoquinoline, 97+%1-BROMOISOQUINOLIN-3-AMINE ISO 9001：2015 REACH

1-bromoisoquinolin-3-ylamineNSC1521771-Bromo-3-aminoisoquinoline3-Amino-1-bromo-isoquinolineSCHEMBL3038151-Bromo-3-isoquinolinamine #SCHEMBL300648411-BROMOISOQUINOLINE-3-AMINE

Database identifiers

CAS: 13130-79-5
PubChem CID: 289845
DTXSID: DTXSID50302622
EC Number: 681-129-5

Properties

Computed structural properties

XLogP: 2.8
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: 144 °C · 144 °C
Boiling point: 387.8 · 387.8±22.0 °C(Predicted)
Density: 1.649 · 1.649±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: solid
pka: 1.73 · 1.73±0.50(Predicted)
color: Yellow
Water Solubility: Slightly soluble in water.
Sensitive: Air Sensitive
CAS DataBase Reference: 13130 · 13130-79-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2933491090 · 2933491090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (28.6%): 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.