4-Chloropyrazole - CAS 15878-00-9

Catalog:	BB011464
Product Name:	4-Chloropyrazole
CAS:	15878-00-9
Synonyms:	4-chloro-1H-pyrazole; 4-chloro-1H-pyrazole

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Computed Properties

IUPAC Name:	4-chloro-1H-pyrazole
Description:	4-Chloropyrazole (CAS# 15878-00-9) is a useful research chemical.
Molecular Weight:	102.52
Molecular Formula:	C3H3ClN2
Canonical SMILES:	C1=C(C=NN1)Cl
InChI:	InChI=1S/C3H3ClN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChI Key:	BADSZRMNXWLUKO-UHFFFAOYSA-N
Boiling Point:	220 °C
Density:	1.405 g/cm³
MDL:	MFCD00159634
LogP:	1.06310

Publication Number	Title	Priority Date
CN-113248854-A	Complex/PVA composite material and preparation method and application thereof	20210521
CN-112225722-A	Method for preparing crizotinib intermediate by using microchannel reactor	20201112
WO-2021204857-A1	Microbiocidal quinoline dihydro-(thiazine)oxazine derivatives	20200408
CN-111253400-A	Halogenated pyrazole matrine derivative with insecticidal activity and preparation method and application thereof	20200226
CN-111253400-B	Halogenated pyrazole matrine derivative with insecticidal activity and preparation method and application thereof	20200226

PMID	Publication Date	Title	Journal
22304385	20120215	Design, synthesis, and insecticidal activity of novel pyrazole derivatives containing α-hydroxymethyl-N-benzyl carboxamide, α-chloromethyl-N-benzyl carboxamide, and 4,5-dihydrooxazole moieties	Journal of agricultural and food chemistry

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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:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	101.9984758
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	101.9984758
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2