3-(Chloromethyl)-1-methyl-1H-pyrazole

HCID 423923

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Basic information

CAS: 84547-64-8
Standard SMILES: Cn1ccc(CCl)n1
InChIKey: DHOBZYGMEYEAEM-UHFFFAOYSA-N
Molecular formula: C5H7ClN2
Average molar mass: 130.57 g/mol
Monoisotopic mass: 130.0297759

Names & identifiers

Preferred name: 3-(Chloromethyl)-1-methyl-1H-pyrazole
IUPAC: 3-(chloromethyl)-1-methylpyrazole
English name: 3-(Chloromethyl)-1-methyl-1H-pyrazole
Molecular formula: C5H7ClN2
Molecular weight: 130.58

Names & synonyms

3-(CHLOROMETHYL)-1-METHYL-1H-PYRAZOLE84547-64-8DTXSID90329797RefChem:92578DTXCID90280894638-901-13-(chloromethyl)-1-methylpyrazoleMFCD086902751H-pyrazole, 3-(chloromethyl)-1-methyl-, hydrochloride1H-Pyrazole, 3-(chloromethyl)-1-methyl-SCHEMBL17694273-chloromethyl-1-methylpyrazole

Show more names

(ChloroMethyl)-1-Methyl-1H-pyrazole3-(Chloromethyl)-1-methyl-1H-pyrazole97%3-(Chloromethyl)-1-methyl-1h-pyrazole HCl3-(Chloromethyl)-1-methyl-1H-pyrazole 97%3-(Chloromethyl)-1-methyl-1H-pyrazole hydrochloride3-(Chloromethyl)-1-methyl-1H-pyrazole dihydrochloride

DHOBZYGMEYEAEM-UHFFFAOYSA-NALBB-022010SBB054941AKOS005169512SB15729AS-32876SY037769DB-076067

Database identifiers

CAS: 84547-64-8
PubChem CID: 423923
DTXSID: DTXSID90329797
EC Number: 638-901-1

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 76.8

Physicochemical properties

Boiling point: 146 · 146-148 °C
Density: 1.2 · 1.2
storage temp.: 2 · Storage temp. 2-8°C
form: liquid
pka: 1.31 · 1.31±0.10(Predicted)
color: Clear, light yellow
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-EUH014-EUH029
Precautionary statements: 260 · P260-P271-P280
Hazard Codes: C
RIDADR: 3265 · UN3265
Hazard Note: Corrosive
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.