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1-(4-Chlorophenyl)-1H-pyrazole-4-carbaldehyde

1-(4-Chlorophenyl)-1H-pyrazole-4-carbaldehyde - CAS 63874-99-7

Catalog:	BB032307
Product Name:	1-(4-Chlorophenyl)-1H-pyrazole-4-carbaldehyde
CAS:	63874-99-7
Synonyms:	1-(4-chlorophenyl)-4-pyrazolecarboxaldehyde; 1-(4-chlorophenyl)pyrazole-4-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(4-chlorophenyl)pyrazole-4-carbaldehyde
Description:	1-(4-Chlorophenyl)-1H-pyrazole-4-carbaldehyde (CAS# 63874-99-7) is a useful research chemical.
Molecular Weight:	206.63
Molecular Formula:	C10H7ClN2O
Canonical SMILES:	C1=CC(=CC=C1N2C=C(C=N2)C=O)Cl
InChI:	InChI=1S/C10H7ClN2O/c11-9-1-3-10(4-2-9)13-6-8(7-14)5-12-13/h1-7H
InChI Key:	VZQVRKCGPMBZQL-UHFFFAOYSA-N
Boiling Point:	339.1 °C at 760 mmHg
Density:	1.3 g/cm³
LogP:	2.33820

Publication Number	Title	Priority Date
WO-2019235879-A1	Composition for preventing or treating cancer, containing novel mtor inhibitor	20180608
KR-20190124666-A	Novel compounds as mTOR inhibitor and uses thereof	20180426
WO-2019209083-A1	Novel compound as mtor inhibitor and use thereof	20180426
CN-112368279-A	Novel compounds as mTOR inhibitors and uses thereof	20180426
EP-3786163-A1	Novel compound as mtor inhibitor and use thereof	20180426

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Carbonyl Compounds

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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:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.0246905
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.0246905
Rotatable Bond Count:	2
Topological Polar Surface Area:	34.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2