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3,5-Dichlorobenzyl Chloride

3,5-Dichlorobenzyl Chloride - CAS 3290-06-0

Catalog:	BB021477
Product Name:	3,5-Dichlorobenzyl Chloride
CAS:	3290-06-0
Synonyms:	1,3-dichloro-5-(chloromethyl)benzene; 1,3-dichloro-5-(chloromethyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	1,3-dichloro-5-(chloromethyl)benzene
Description:	3,5-Dichlorobenzyl Chloride (CAS# 3290-06-0) is a useful research chemical.
Molecular Weight:	195.47
Molecular Formula:	C7H5Cl3
Canonical SMILES:	C1=C(C=C(C=C1Cl)Cl)CCl
InChI:	InChI=1S/C7H5Cl3/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
InChI Key:	ZFLRKAMKGYNFPH-UHFFFAOYSA-N
Boiling Point:	248.3 ℃ at 760 mmHg
Density:	1.386 g/cm³
MDL:	MFCD00060278
LogP:	3.73220

Publication Number	Title	Priority Date
CN-110194773-A	Pyrrolo-pyrazole analog derivative, preparation method and its application in medicine	20190726
CN-110194773-B	Pyrrolo-pyrazole analog derivative, preparation method and its application in medicine	20190726
WO-2021017065-A1	Pyrrolopyrazole derivatives, preparation method therefor and application thereof in medicine	20190726
WO-2020119590-A1	3-cyanopyridine compound, pharmaceutical composition comprising same, preparation method therefor, and uses thereof.	20181211
CN-111303146-A	3-cyanopyridine compound, pharmaceutical composition containing same, preparation method and application thereof	20181211

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	95
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.945683
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	193.945683
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6