5-(Bromomethyl)quinoxaline

HCID 10149129

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 131454-80-3
Standard SMILES: BrCc1cccc2nccnc12
InChIKey: FKAVQZSQIBPEJA-UHFFFAOYSA-N
Molecular formula: C9H7BrN2
Average molar mass: 223.07 g/mol
Monoisotopic mass: 221.97926032

Names & identifiers

Preferred name: 5-(Bromomethyl)quinoxaline
IUPAC: 5-(bromomethyl)quinoxaline
English name: 5-(broMoMethyl)quinoxaline
Molecular formula: C9H7BrN2
Molecular weight: 223.07

Names & synonyms

5-(bromomethyl)quinoxaline131454-80-3Quinoxaline, 5-(bromomethyl)-MFCD216485625-(bromomethyl)-quinoxalineSCHEMBL2340487SCHEMBL30002633DTXSID90436157FKAVQZSQIBPEJA-UHFFFAOYSA-NF72330EN300-6237241F861692

Database identifiers

CAS: 131454-80-3
PubChem CID: 10149129
DTXSID: DTXSID90436157
EC Number: 117-758-4

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 151

Physicochemical properties

Boiling point: 325.7 · 325.7±27.0 °C(Predicted)
Density: 1.599 · 1.599±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 0.48 · 0.48±0.30(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H315-H318-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501