2,4-Dichlorobenzonitrile - CAS 6574-98-7

Catalog:	BB032809
Product Name:	2,4-Dichlorobenzonitrile
CAS:	6574-98-7
Synonyms:	2,4-dichlorobenzonitrile; 2,4-dichlorobenzonitrile

Technical Data

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Computed Properties

IUPAC Name:	2,4-dichlorobenzonitrile
Description:	2,4-Dichlorobenzonitrile (CAS# 6574-98-7) is a useful research chemical.
Molecular Weight:	172.01
Molecular Formula:	C7H3Cl2N
Canonical SMILES:	C1=CC(=C(C=C1Cl)Cl)C#N
InChI:	InChI=1S/C7H3Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
InChI Key:	GRUHREVRSOOQJG-UHFFFAOYSA-N
Boiling Point:	125 °C / 15 mmHg
Density:	1.4 g/cm³
MDL:	MFCD00016373
LogP:	2.86508

Publication Number	Title	Priority Date
CN-113200938-A	Benzisothiazole hypoxia inducible factor 2 agonist compound or pharmaceutically acceptable salt thereof, preparation method and application	20210520
CN-112374997-A	Preparation process of 2, 4-difluorobenzylamine and intermediate thereof	20201117
CN-111530311-A	Preparation method of monolithic poly (arylene ether nitrile) bipolar membrane containing corrole water dissociation catalytic group	20200512
CN-111233705-A	Method for preparing corresponding benzonitrile by virtue of benzyl chloride derivative ammoxidation method	20200302
KR-20210078402-A	Amorphous catalyst, method for preparing the amorphous catalyst, and catalyst for preparing methyl methacrylate comprising the amorphous catalyst	20191218

PMID	Publication Date	Title	Journal
19191712	20090306	Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane	The Journal of organic chemistry
11206554	20010201	Laser Raman and IR spectra and force fields for 2,4-dichlorobenzonitrile	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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Related Functional Groups

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[1281984-38-0]
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[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

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GHS Hazard Statement:	H302 (95.65%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.9642545
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.9642545
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6