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1,3-Dimethylpyrazole

1,3-Dimethylpyrazole structure

CAS No:
694-48-4
Formula:
C5H8N2
Chemical Name:
1,3-Dimethylpyrazole
Synonyms:
NSC 190569;2,5-DiMethylpyrazole;1,3-dimethylpyrazole;1,3- two Methylpyrazole;1H-Pyrazole,1,3-diMethyl-;1,3-DiMethylpyrazole, 98.0%,(GC);α-(2-Chloroethyl)-2-thiophenemethanol;1,3-dimethyl-1H-pyrazole(SALTDATA: FREE)
Categories:
Agrochemicals > Pesticide Intermediates

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1,3-Dimethylpyrazole Basic Attributes

Molecular Weight：

96.13042

Exact Mass：

96.068748

EC Number：

1312995-182-4

NSC Number：

190569

DSSTox ID：

DTXSID90219523

HScode：

2933199090

Characteristics

PSA：

17.8

XLogP3：

0.6

Density：

1.0±0.1 g/cm3

Melting Point：

82.75°C (estimate)

Boiling Point：

138°C(lit.)

Flash Point：

38.6±18.7 °C

Refractive Index：

1.519

Storage Conditions：

Room temperature.

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN 1993 3/PG III

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:96.13
XLogP3:0.6
Hydrogen Bond Acceptor Count:1
Exact Mass:96.068748264
Monoisotopic Mass:96.068748264
Topological Polar Surface Area:17.8
Heavy Atom Count:7
Complexity:63.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1,3-Dimethylpyrazole

CAS No.: 694-48-4

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