CAS 1093881-63-0 4-(2-chloroethyl)-1-methyl-1H-pyrazole (HCID 59525686)

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Basic information

CAS: 1093881-63-0
Standard SMILES: Cn1cc(CCCl)cn1
InChIKey: OAYGXNCRHZTQEB-UHFFFAOYSA-N
Molecular formula: C6H9ClN2
Average molar mass: 144.6 g/mol

Names & identifiers

Preferred name: 4-(2-chloroethyl)-1-methyl-1H-pyrazole
IUPAC: 4-(2-chloroethyl)-1-methylpyrazole
English name: MFCD16824702
Molecular formula: C6H9ClN2
Molecular weight: 144.6

Names & synonyms

4-(2-chloroethyl)-1-methyl-1H-pyrazole1093881-63-0RefChem:512347833-169-14-(2-chloroethyl)-1-methylpyrazoleMFCD168247021H-pyrazole, 4-(2-chloroethyl)-1-methyl-SCHEMBL3509236OAYGXNCRHZTQEB-UHFFFAOYSA-NALBB-028852SBB0737784-(2-chloroethyl)-1-methyl-pyrazole

Show more names

AKOS011896723AT34001NCGC00660540-01DA-15640LS-10021CS-0309127EN300-159786

Database identifiers

CAS: 1093881-63-0
PubChem CID: 59525686
EC Number: 833-169-1

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 87.1

Physicochemical properties

Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H335-H302-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H318-H335-H302-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501