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1-(1H-Pyrazol-3-yl)ethan-1-one hydrochloride

1-(1H-Pyrazol-3-yl)ethan-1-one hydrochloride structure

CAS No:
175277-40-4
Formula:
C5H6N2O.ClH
Chemical Name:
1-(1H-Pyrazol-3-yl)ethan-1-one hydrochloride
Synonyms:
Ethanone,1-(1H-pyrazol-3-yl)-,hydrochloride (1:1);Ethanone,1-(1H-pyrazol-3-yl)-,monohydrochloride;3-Acetylpyrazole hydrochloride;1-(1H-Pyrazol-5-yl)-1-ethanone hydrochloride;1-(1H-Pyrazol-3-yl)ethan-1-one hydrochloride;5-Acetyl-1H-pyrazole hydrochloride;1-(2H-Pyrazol-3-yl)ethanone hydrochloride;693773-78-3;875553-36-9;1434828-93-9

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1-(1H-Pyrazol-3-yl)ethan-1-one hydrochloride Basic Attributes

Molecular Weight：

146.57500

Exact Mass：

146.0246905

DSSTox ID：

DTXSID40384093

HScode：

2933199090

Characteristics

PSA：

45.75000

XLogP3：

1.41430

Density：

1.19g/cm3

Melting Point：

150ºC

Boiling Point：

277.7ºC at 760mmHg

Flash Point：

125.9ºC

Vapor Pressure：

0.00446mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36/37/39

Marks：

GHS Classification：

|Warning|H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:146.57
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:146.0246905
Monoisotopic Mass:146.0246905
Topological Polar Surface Area:45.8
Heavy Atom Count:9
Complexity:103
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 1-(1H-Pyrazol-3-yl)ethan-1-one hydrochloride

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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