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3-(1,1-Dimethylethyl)-1H-pyrazole

3-(1,1-Dimethylethyl)-1H-pyrazole structure

CAS No:
15802-80-9
Formula:
C7H12N2
Chemical Name:
3-(1,1-Dimethylethyl)-1H-pyrazole
Synonyms:
1H-Pyrazole,3-(1,1-dimethylethyl)-;Pyrazole,3-tert-butyl-;3-(1,1-Dimethylethyl)-1H-pyrazole;3-tert-Butylpyrazole;3-tert-Butyl-1H-pyrazole;141665-15-8;196207-20-2;286384-49-4;1444611-32-8;1801687-10-4

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3-(1,1-Dimethylethyl)-1H-pyrazole Basic Attributes

Molecular Weight：

124.18400

Exact Mass：

124.18

DSSTox ID：

DTXSID70166349

HScode：

2933199090

Characteristics

PSA：

28.68000

XLogP3：

1.70720

Density：

0.972g/cm3

Melting Point：

53-54 °C

Boiling Point：

127 °C @ Press: 0.15 Torr

Flash Point：

87.9ºC

Refractive Index：

1.493

Vapor Pressure：

0.179mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:124.18
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:124.100048391
Monoisotopic Mass:124.100048391
Topological Polar Surface Area:28.7
Heavy Atom Count:9
Complexity:93.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(1,1-Dimethylethyl)-1H-pyrazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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