4-(Bromoacetyl)pyridine hydrobromide

HCID 2776239

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Basic information

CAS: 5349-17-7
Standard SMILES: Br.O=C(CBr)c1ccncc1
InChIKey: RGALBQILADNMKA-UHFFFAOYSA-N
Molecular formula: C7H7Br2NO
Average molar mass: 280.94 g/mol
Monoisotopic mass: 278.88943804

Names & identifiers

Preferred name: 4-(Bromoacetyl)pyridine hydrobromide
IUPAC: 2-bromo-1-pyridin-4-ylethanone;hydrobromide
English name: 4-(Bromoacetyl)pyridine hydrobromide
Molecular formula: C7H6BrNO.BrH
Molecular weight: 280.94

Names & synonyms

4-(Bromoacetyl)pyridine hydrobromideDTXSID90379914RefChem:515295DTXCID50330940621-664-35349-17-72-bromo-1-(pyridin-4-yl)ethanone hydrobromide2-bromo-1-(4-pyridinyl)-1-ethanone hydrobromideMFCD026818932-bromo-1-(pyridin-4-yl)ethan-1-one hydrobromide2-bromo-1-pyridin-4-ylethanone;hydrobromide2-bromo-1-(4-pyridyl)ethanone hydrobromide

Show more names

BUTTPARK 37\12-454-( Bromoacetyl)pyridine4-BromoAcetyl Pyridine HBr4-(2-BroMo-acetyl)-pyridiniuM2-broMo-1-(pyridin-4-yl)ethanone.HBr4-(2-BROMO-ACETYL)-PYRIDINIUM, BROMIDE4-(2-Bromoacetyl)pyridine hydrobromide2-Bromo-1-(4-pyridinyl)-1-ethanone*HBr4-(Bromoacetyl)pyridinehydrobromide,98%

4-bromoacetylpyridine hydrobromidealpha-Bromo-4-acetylpyridine hydrobromide2-bromo-1-(pyridin-4-yl) ethanone hydrobromide2-bromo-1-(pyridin-4-yl)ethanone hydro bromide4-(BROMOACETYL)PYRIDINE HBRethanone, 2-bromo-1-(4-pyridinyl)-, hydrobromide4-bromoacetyl pyridin2-bromo-1-pyridin-4-ylethanone hydrobromide

Database identifiers

CAS: 5349-17-7
PubChem CID: 2776239
DTXSID: DTXSID90379914
EC Number: 621-664-3

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: 121

Physicochemical properties

Melting point: 194 °C · 194 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: powder
color: Off-white
Water Solubility: Soluble in water.
CAS DataBase Reference: 5349 · 5349-17-7(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Warning
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P303+P361+P353-P305+P351+P338-P310
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39-37/39
Hazard Note: Irritant
HazardClass: 8 · 8
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (87.2%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (87.2%)

Safety data

hs_code: 2933399990
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS05
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-37/39
hazard_class: 8
Hazard statements: H314-H318
Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310

Chemistry & industry

Applications

UsesDesign and synthesis of potent, selective, and orally bioavailable tetrasubstituted imidazole inhibitors of p38 mitogen-activated protein kinase 4-(Bromoacetyl)pyridine hydrobromide was used to prepare 2-Phenyl-4-(4-pyridyl)imidazole.