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1-(1-METHYL-1H-PYRAZOL-4-YL)-ETHANONE

1-(1-METHYL-1H-PYRAZOL-4-YL)-ETHANONE structure

CAS No:
37687-18-6
Formula:
C6H8N2O
Chemical Name:
1-(1-METHYL-1H-PYRAZOL-4-YL)-ETHANONE
Synonyms:
ART-CHEM-BB B007418;1-(1-METHYL-1H-PYRAZOL-4-YL)-ETHANONE;AKOS PAO-0384;AKOS B007418;1-(1-methyl-1H-pyrazol-4-yl)ethanone(SALTDATA: FREE);1-(1-methyl-4-pyrazolyl)ethanone;1-(1-methylpyrazol-4-yl)ethanone;1-(1-METHYL-1H-PYRAZOL-4-YL)ETHANONE(WXC08614)

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1-(1-METHYL-1H-PYRAZOL-4-YL)-ETHANONE Basic Attributes

Molecular Weight：

124.14

Exact Mass：

124.063662883

DSSTox ID：

DTXSID90394006

Characteristics

Density：

1.11±0.1 g/cm3

Boiling Point：

221.0±13.0 °C(Predicted)

PKA：

-0.17±0.10

Safety Information

Hazard category：

IRRITANT

Marks：

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:124.14
XLogP3:-0.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:124.063662883
Monoisotopic Mass:124.063662883
Topological Polar Surface Area:34.9
Heavy Atom Count:9
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: formalin; sodium pentathol; sucrose acetate isobutyrate; ammonium pyrophosphate formula; hydrogen sulphide formula; amphotericin b yellow powder

Guide of 1-(1-METHYL-1H-PYRAZOL-4-YL)-ETHANONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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