5-chloro-4-(chloromethyl)-1-methyl-3-phenyl-1H-pyrazole

HCID 2763646CAS 321538-19-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1nc(-c2ccccc2)c(CCl)c1Cl
InChIKey
CNCQDVYHESLDLK-UHFFFAOYSA-N
Molecular formula
C11H10Cl2N2
Average molar mass
241.11 g/mol
Monoisotopic mass
240.02210368

Names & identifiers

Preferred name
5-chloro-4-(chloromethyl)-1-methyl-3-phenyl-1H-pyrazole
IUPAC
5-chloro-4-(chloromethyl)-1-methyl-3-phenylpyrazole
English name
5-Chloro-4-(chloromethyl)-1-methyl-3-phenyl-1H-pyrazole
Molecular formula
C11H10Cl2N2
Molecular weight
241.12

Names & synonyms

5-chloro-4-(chloromethyl)-1-methyl-3-phenyl-1H-pyrazole321538-19-65-chloro-4-(chloromethyl)-1-methyl-3-phenylpyrazoleMFCD00244901SCHEMBL2076868DTXSID30377070SBB099389AKOS0050700702K-544S5-chloro-4-(chloromethyl)-1-methyl-3-phenyl-pyrazole5-Chloro-4-(chloromethyl)-1-methyl-3- phenyl-1H-pyrazole1H-Pyrazole, 5-chloro-4-(chloromethyl)-1-methyl-3-phenyl-

Database identifiers

CAS
321538-19-6
PubChem CID
2763646
DTXSID
DTXSID30377070

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
17.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Melting point
70 · 70-74°C
Boiling point
375.8 · 375.8±42.0 °C(Predicted)
Density
1.29 · 1.29±0.1 g/cm3(Predicted)
pka
-0.29 · -0.29±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers3 total

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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