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4-Chloro-1-(2,6-dichlorobenzyl)-3-isothiocyanato-1H-pyrazole

4-Chloro-1-(2,6-dichlorobenzyl)-3-isothiocyanato-1H-pyrazole - CAS 1004644-13-6

Catalog:	BB049744
Product Name:	4-Chloro-1-(2,6-dichlorobenzyl)-3-isothiocyanato-1H-pyrazole
CAS:	1004644-13-6
Synonyms:	4-Chloro-1-(2,6-dichloro-benzyl)-3-isothiocyanato-1H-pyrazole

Technical Data

Computed Properties

IUPAC Name:	4-chloro-1-[(2,6-dichlorophenyl)methyl]-3-isothiocyanatopyrazole
Description:	4-Chloro-1-(2,6-dichlorobenzyl)-3-isothiocyanato-1H-pyrazole (CAS# 1004644-13-6 ) is a useful research chemical.
Molecular Weight:	318.6
Molecular Formula:	C11H6Cl3N3S
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)CN2C=C(C(=N2)N=C=S)Cl)Cl
InChI:	InChI=1S/C11H6Cl3N3S/c12-8-2-1-3-9(13)7(8)4-17-5-10(14)11(16-17)15-6-18/h1-3,5H,4H2
InChI Key:	POMBMTWGHMAFKR-UHFFFAOYSA-N
Boiling Point:	480.2±45.0 °C at 760 mmHg
Density:	1.5±0.1 g/cm³

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Related Functional Groups

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[111-85-3]
1-Chlorooctane
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[158387-00-9]
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1184994-08-8]
2,2-Dimethyl-1-pyrazol-1-ylmethyl-propylamine hydrochloride

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[6633-90-5]
1,4-Butanedithiol diacetate
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

Complexity:	328
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	316.934801
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	316.934801
Rotatable Bond Count:	3
Topological Polar Surface Area:	62.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.4