5-Bromo-4,6-dichloropyrimidine - CAS 68797-61-5

Catalog:	BB033632
Product Name:	5-Bromo-4,6-dichloropyrimidine
CAS:	68797-61-5
Synonyms:	5-bromo-4,6-dichloropyrimidine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-4,6-dichloropyrimidine
Description:	5-Bromo-4,6-dichloropyrimidine (CAS# 68797-61-5) is a useful research chemical.
Molecular Weight:	227.87
Molecular Formula:	C4HBrCl2N2
Canonical SMILES:	C1=NC(=C(C(=N1)Cl)Br)Cl
InChI:	InChI=1S/C4HBrCl2N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChI Key:	BKLHHTTZTSYHBV-UHFFFAOYSA-N
Boiling Point:	294.6 °C at 760 mmHg
Purity:	97 %
Density:	1.964 g/cm³
MDL:	MFCD00047379
LogP:	2.54590

Publication Number	Title	Priority Date
WO-2020233694-A1	Crystal form of pyrimidine sulfonamide compound and preparation method therefor	20190522
CN-109232546-A	A kind of medical usage of pyrimidine sulfonyl amine derivant	20180925
WO-2020062912-A1	Medical application of pyrimidine sulfonamides derivatives	20180925
CN-109232546-B	Medical application of pyrimidine sulfonamide derivative	20180925
EP-3851435-A1	Medical application of pyrimidine sulfonamides derivatives	20180925

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GHS Hazard Statement:	H301 (91.11%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	92.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.87002
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.87002
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8