1H-Pyrazole,1-[(4-chlorophenyl)methyl]-3-isothiocyanato-(9CI)

Modify Date: 2025-08-25 21:42:09

1H-Pyrazole,1-[(4-chlorophenyl)methyl]-3-isothiocyanato-(9CI) Structure
1H-Pyrazole,1-[(4-chlorophenyl)methyl]-3-isothiocyanato-(9CI) structure
Common Name 1H-Pyrazole,1-[(4-chlorophenyl)methyl]-3-isothiocyanato-(9CI)
CAS Number 588695-59-4 Molecular Weight 249.71900
Density N/A Boiling Point N/A
Molecular Formula C11H8ClN3S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 1-(4-Chlorobenzyl)-3-isothiocyanato-1H-pyrazole

 Chemical & Physical Properties

Molecular Formula C11H8ClN3S
Molecular Weight 249.71900
Exact Mass 249.01300
PSA 62.27000
LogP 3.31910
InChIKey MFSGNFGHKOLFFH-UHFFFAOYSA-N
SMILES S=C=Nc1ccn(Cc2ccc(Cl)cc2)n1

 Safety Information

HS Code 2933199090

 Synthetic Route

~%

1H-Pyrazole,1-[(4-chlorophenyl)methyl]-3-isothiocyanato-(9CI) Structure

1H-Pyrazole,1-[...

CAS#:588695-59-4

Literature: Ballell Pages, Lluis; Castro Pichel, Julia; Fernandez Menendez, Raquel; Fernandez Velando, Esther Pilar; Gonzalez Del Valle, Silvia; Leon Diaz, Maria Luisa; Mendoza Losana, Alfonso; Wolfendale, Matthew James Patent: US2012/95064 A1, 2012 ; Location in patent: Page/Page column 52 ;

 Customs

HS Code 2933199090
Summary 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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