CAS 17570-98-8 2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide (HCID 2776231)

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Basic information

CAS: 17570-98-8
Standard SMILES: Br.O=C(CBr)c1ccccn1
InChIKey: BYKVUGZUYJUSKD-UHFFFAOYSA-N
Molecular formula: C7H7Br2NO
Average molar mass: 280.94 g/mol
Monoisotopic mass: 278.88943804

Names & identifiers

Preferred name: 2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide
IUPAC: 2-bromo-1-pyridin-2-ylethanone;hydrobromide
English name: 2-(BROMOACETYL)PYRIDINE HYDROBROMIDE
Molecular formula: C7H7Br2NO
Molecular weight: 280.94

Names & synonyms

2-bromo-1-(2-pyridinyl)-1-ethanone hydrobromideRefChem:465895642-647-72-(Bromoacetyl)pyridine hydrobromide17570-98-82-bromo-1-(pyridin-2-yl)ethanone hydrobromideMFCD021811962-(2-bromoacetyl)pyridine hydrobromide2-bromo-1-pyridin-2-ylethanone;hydrobromide2-(BROMOACETYL)PYRIDINE HBREthanone, 2-bromo-1-(2-pyridinyl)-, hydrobromide (1:1)2-BROMO-1-(PYRIDIN-2-YL)ETHAN-1-ONE HYDROBROMIDE

Show more names

BUTTPARK 32\08-51TIMTEC-BB SBB0055812-(Bromoacetyl)pyrdine hydrobromide2-Bromo-1-(2-pyridinyl)-1-ethanone*HBr2-(Bromoacetyl)pyridine hydrobromide ,97%Bromomethyl 2-pyridyl ketone hydrobromide

SCHEMBL10166012-bromoacetylpyridine hydrobromide2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromideAS-18166SY0079622-bromo-1-pyridin-2-yl ethanone hydrobromide2-bromo-1-pyridin-2-ylethanone;hydron;bromide2-bromo-1-(pyridin-2-yl)ethanone, hydrobromide

Database identifiers

Properties

Computed structural properties

Topological polar surface area: 30 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 127

Physicochemical properties

Melting point: 205 °C · 205 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder
color: light brown
InChI: InChI=1S/C7H6BrNO.BrH/c8-5-7(10)6-3-1-2-4-9-6;/h1-4H,5H2;1H
InChIKey: BYKVUGZUYJUSKD-UHFFFAOYSA-N
SMILES: C1(N=CC=CC=1)C(=O)CBr.Br
CAS DataBase Reference: 17570 · 17570-98-8(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-36-22

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (40%): 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.