2-Chloropyrimidine-5-carbaldehyde - CAS 933702-55-7

Catalog:	BB040870
Product Name:	2-Chloropyrimidine-5-carbaldehyde
CAS:	933702-55-7
Synonyms:	2-chloro-5-pyrimidinecarboxaldehyde; 2-chloropyrimidine-5-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-chloropyrimidine-5-carbaldehyde
Description:	2-Chloropyrimidine-5-carbaldehyde (CAS# 933702-55-7) is a useful research chemical.
Molecular Weight:	142.54
Molecular Formula:	C5H3ClN2O
Canonical SMILES:	C1=C(C=NC(=N1)Cl)C=O
InChI:	InChI=1S/C5H3ClN2O/c6-5-7-1-4(3-9)2-8-5/h1-3H
InChI Key:	LJYQVOPFBNMTKJ-UHFFFAOYSA-N
Boiling Point:	318.2 °C at 760 mmHg
Density:	1.432 g/cm³
Appearance:	Pale yellow - orange solid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD10696891
LogP:	0.94250

Publication Number	Title	Priority Date
CN-111892585-A	N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof	20200805
CN-113214240-A	N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof	20200805
CN-111393415-A	Heteroaromatic nitrile compound and application thereof	20200430
CN-111393415-B	Heteroaromatic nitrile compound and application thereof	20200430
WO-2021117846-A1	Compound serving as pdgf receptor kinase inhibitor, and composition	20191213

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GHS Hazard Statement:	H302 (50%): 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:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.9933904
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	141.9933904
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6