2-Chloro-5-fluoropyrimidine - CAS 62802-42-0

Catalog:	BB031809
Product Name:	2-Chloro-5-fluoropyrimidine
CAS:	62802-42-0
Synonyms:	2-chloro-5-fluoropyrimidine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-5-fluoropyrimidine
Description:	2-Chloro-5-fluoropyrimidine (CAS# 62802-42-0) is a compound useful in organic synthesis.
Molecular Weight:	132.52
Molecular Formula:	C4H2ClFN2
Canonical SMILES:	C1=C(C=NC(=N1)Cl)F
InChI:	InChI=1S/C4H2ClFN2/c5-4-7-1-3(6)2-8-4/h1-2H
InChI Key:	AGYUQBNABXVWMS-UHFFFAOYSA-N
Boiling Point:	149.0-162.0 °C
Purity:	97.0 %
Density:	1.073 g/cm³
MDL:	MFCD03788197
LogP:	1.26910

Publication Number	Title	Priority Date
CN-113429396-A	Five-membered heteroaromatic ring derivative and preparation method and application thereof	20210608
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2021156636-A1	Triazole derivatives with antifungal activity	20200205
WO-2021158698-A1	Muscarinic receptor 4 antagonists and methods of use	20200205

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Related Functional Groups

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GHS Hazard Statement:	H302 (95.35%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	72.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.9890539
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	131.9890539
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3