2-Bromo-5-chloropyrazine - CAS 912773-21-8

Catalog:	BB040105
Product Name:	2-Bromo-5-chloropyrazine
CAS:	912773-21-8
Synonyms:	2-bromo-5-chloropyrazine; 2-bromo-5-chloropyrazine

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-chloropyrazine
Description:	2-Bromo-5-chloropyrazine (CAS# 912773-21-8) is a useful research chemical.
Molecular Weight:	193.43
Molecular Formula:	C4H2BrClN2
Canonical SMILES:	C1=C(N=CC(=N1)Br)Cl
InChI:	InChI=1S/C4H2BrClN2/c5-3-1-8-4(6)2-7-3/h1-2H
InChI Key:	UXCPLGLOAZWCKO-UHFFFAOYSA-N
Boiling Point:	208.101 °C at 760 mmHg
Density:	1.86 g/cm³
LogP:	1.89250

Publication Number	Title	Priority Date
WO-2021211741-A1	Substituted pyridines for the treatment of inflammatory diseases	20200414
CN-113493440-A	Salt of nitrogen-containing heteroaromatic derivative and crystal form thereof	20200403
WO-2021197452-A1	Crystal form of free alkali of nitrogen-containing aromatic derivatives	20200403
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	80.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.90899
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.90899
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6