2-Bromo-4-(trifluoromethyl)pyrimidine - CAS 785777-87-9

Catalog:	BB036191
Product Name:	2-Bromo-4-(trifluoromethyl)pyrimidine
CAS:	785777-87-9
Synonyms:	2-bromo-4-(trifluoromethyl)pyrimidine; 2-bromo-4-(trifluoromethyl)pyrimidine

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-4-(trifluoromethyl)pyrimidine
Description:	2-Bromo-4-(trifluoromethyl)pyrimidine (CAS# 785777-87-9) is a useful research chemical.
Molecular Weight:	226.98
Molecular Formula:	C5H2BrF3N2
Canonical SMILES:	C1=CN=C(N=C1C(F)(F)F)Br
InChI:	InChI=1S/C5H2BrF3N2/c6-4-10-2-1-3(11-4)5(7,8)9/h1-2H
InChI Key:	RHCZXIKKGYOYQZ-UHFFFAOYSA-N
Boiling Point:	247.154 °C at 760 mmHg
Density:	1.808 g/cm³
MDL:	MFCD09802248
LogP:	2.25790

Publication Number	Title	Priority Date
WO-2021099527-A1	Pyrrolidine derivatives	20191122
WO-2020132269-A1	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220
TW-202039501-A	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220
US-2021115049-A1	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220
CN-113164485-A	Substituted pyrazolopyrimidines and substituted purines and their use as inhibitors of ubiquitin-specific processing protease 1(USP1)	20181220

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Related Functional Groups

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.93535
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.93535
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1