CAS 1053053-92-1 (3-Bromopyridin-2-yl)methanamine (HCID 46398142)

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Basic information

CAS: 1053053-92-1
Standard SMILES: NCc1ncccc1Br
InChIKey: VBLKGQOKUPVXSS-UHFFFAOYSA-N
Molecular formula: C6H7BrN2
Average molar mass: 187.04 g/mol

Names & identifiers

Preferred name: (3-Bromopyridin-2-yl)methanamine
IUPAC: (3-bromo-2-pyridinyl)methanamine
English name: C-(3-BroMo-pyridin-4-yl)-MethylaMine
Molecular formula: C6H7BrN2
Molecular weight: 187.04

Names & synonyms

(3-BROMOPYRIDIN-2-YL)METHANAMINE1053053-92-1RefChem:400033816-387-13-Bromopyridine-2-methanamineC-(3-BROMO-PYRIDIN-4-YL)-METHYLAMINE(3-bromo-2-pyridyl)methanamine2-(Aminomethyl)-3-bromopyridineMFCD13189050SCHEMBL30879002-Aminomethyl-3-bromo pyridineSCHEMBL30461478

Show more names

3-Bromo-2-pyridinemethanamine2-Pyridinemethanamine, 3-bromo-C-(3-Bromo-pyridin-2-yl)-methylamine

VBLKGQOKUPVXSS-UHFFFAOYSA-N(3-Bromopyridin-2-yl) methanamineDSB05392AKOS005199476AB67637SB52573SY251289DB-117165

Database identifiers

CAS: 1053053-92-1
PubChem CID: 46398142
EC Number: 816-387-1

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 87.1

Physicochemical properties

Boiling point: 241.5 · 241.5±25.0 °C(Predicted)
Density: 1.574 · 1.574±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 8.28 · 8.28±0.39(Predicted)
form: liquid
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.