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4-Bromo-3-methyl-5-(trifluoromethyl)-1H-pyrazole

4-Bromo-3-methyl-5-(trifluoromethyl)-1H-pyrazole structure

CAS No:
60061-68-9
Formula:
C5H4BrF3N2
Chemical Name:
4-Bromo-3-methyl-5-(trifluoromethyl)-1H-pyrazole
Synonyms:
1H-Pyrazole,4-bromo-3-methyl-5-(trifluoromethyl)-;4-Bromo-3-methyl-5-(trifluoromethyl)-1H-pyrazole;4-Bromo-5-methyl-3-trifluoromethyl-2H-pyrazole;4-Bromo-5-methyl-3-trifluoromethyl-1H-pyrazole;229957-04-4;496947-25-2;916792-36-4;1092683-89-0;1173882-03-5;2378306-48-8
Categories:
Organic Chemistry > Coordination Complexes

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4-Bromo-3-methyl-5-(trifluoromethyl)-1H-pyrazole Basic Attributes

Molecular Weight：

229

Exact Mass：

229.00

DSSTox ID：

DTXSID50371358

HScode：

2933199090

Characteristics

PSA：

28.68000

XLogP3：

2.49940

Density：

1.803±0.06 g/cm3

Melting Point：

89-90 °C

Boiling Point：

242.0±35.0 °C(Predicted)

Flash Point：

100.2ºC

Refractive Index：

1.483

PKA：

9.83±0.50

Safety Information

GHS Classification：

|Warning|H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]|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 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:229.00
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:227.95100
Monoisotopic Mass:227.95100
Topological Polar Surface Area:28.7
Heavy Atom Count:11
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Bromo-3-methyl-5-(trifluoromethyl)-1H-pyrazole

Basic Attributes
Characteristics
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