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2,4,6-Trichlorobenzonitrile

2,4,6-Trichlorobenzonitrile - CAS 6575-05-9

Catalog:	BB032812
Product Name:	2,4,6-Trichlorobenzonitrile
CAS:	6575-05-9
Synonyms:	2,4,6-trichlorobenzonitrile; 2,4,6-trichlorobenzonitrile

Technical Data

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Computed Properties

IUPAC Name:	2,4,6-trichlorobenzonitrile
Description:	2,4,6-Trichlorobenzonitrile (CAS# 6575-05-9) is a useful research chemical.
Molecular Weight:	206.46
Molecular Formula:	C7H2Cl3N
Canonical SMILES:	C1=C(C=C(C(=C1Cl)C#N)Cl)Cl
InChI:	InChI=1S/C7H2Cl3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
InChI Key:	PGODHCIOIPODFE-UHFFFAOYSA-N
Boiling Point:	303.1 ℃ at 760 mmHg
Density:	1.54 g/cm³
Solubility:	Other solvents(Soluble) : Toluene
MDL:	MFCD00052711
LogP:	3.51848

Publication Number	Title	Priority Date
CN-113024412-A	Preparation method of 2,4, 6-trichlorobenzonitrile	20210323
CN-111499540-A	Method for preparing 2,4,6-trichlorobenzonitrile by ammoxidation method, special catalyst and preparation method	20200422
CN-111004149-A	Method for preparing polyfluorobenzonitrile by catalytic fluorination of polychlorinated benzonitrile	20191227
WO-2020152711-A1	Process for preparation of halogenated benzylamine and intermediates therof	20190125
CN-109111405-B	Aromatic thioether compound and pesticide and medical application thereof	20181022

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GHS Hazard Statement:	H301 (16.67%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.925282
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.925282
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5