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2-Tribromomethylquinoxaline

HCID 96377
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Basic information

CAS
7251-36-7
Standard SMILES
BrC(Br)(Br)c1cnc2ccccc2n1
InChIKey
VCCOPRMZNNMFLI-UHFFFAOYSA-N
Molecular formula
C9H5Br3N2
Average molar mass
380.86 g/mol
Monoisotopic mass
377.80029

Names & identifiers

Preferred name
2-Tribromomethylquinoxaline
IUPAC
2-(tribromomethyl)quinoxaline
English name
2-(Tribromomethyl)quinoxaline
Molecular formula
C9H5Br3N2
Molecular weight
380.86

Names & synonyms

2-TribromomethylquinoxalineRefChem:483818654-366-72-(Tribromomethyl)quinoxalineQuinoxaline, 2-(tribromomethyl)-7251-36-7NSC 71311BRN 0157314NSC71311NCIOpen2_0085654-23-00-01253 (Beilstein Handbook Reference)SCHEMBL5720367
Show more names
WLN: T66 BN ENJ CXEEEDTXSID00222826VCCOPRMZNNMFLI-UHFFFAOYSA-NNSC-71311AKOS024429114

Database identifiers

CAS
7251-36-7
PubChem CID
96377
DTXSID
DTXSID00222826
EC Number
654-366-7
Nikkaji
J48.376A

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Formal charge
0
Complexity
205

Physicochemical properties

Symbol(GHS)
6 · GHS06
Signal word
Danger
Hazard statements
319 · H319-H301
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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. 3 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS06
Hazard statements
H319-H301
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501

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Related reactions

2 records
New reaction record
HRID 544353 reaction equation
HRID 544353As reactantuspto-grants-1984_05
HRID 1758281 reaction equation
HRID 1758281As reactantuspto-grants-1983_02

Compound notes

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