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3-Phenyl-5-(trifluoromethyl)-1H-pyrazole

3-Phenyl-5-(trifluoromethyl)-1H-pyrazole structure

CAS No:
4027-54-7
Formula:
C10H7F3N2
Chemical Name:
3-Phenyl-5-(trifluoromethyl)-1H-pyrazole
Synonyms:
1H-Pyrazole,3-phenyl-5-(trifluoromethyl)-;Pyrazole,3-phenyl-5-(trifluoromethyl)-;Pyrazole,3(or 5)-phenyl-5(or 3)-(trifluoromethyl)-;3-Phenyl-5-(trifluoromethyl)-1H-pyrazole;5-Phenyl-3-(trifluoromethyl)pyrazole;145574-08-9;171000-76-3;192578-22-6;198348-87-7;204130-96-1;851645-56-2;948293-66-1;1456594-02-7;2104659-28-9;2408885-85-6
Categories:
Organic Chemistry > Coordination Complexes

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3-Phenyl-5-(trifluoromethyl)-1H-pyrazole Basic Attributes

Molecular Weight：

212.17100

Exact Mass：

212.17

DSSTox ID：

DTXSID40346333

HScode：

2933199090

Characteristics

PSA：

28.68000

XLogP3：

3.09550

Density：

1.327g/cm3

Melting Point：

123-124 °C

Boiling Point：

335.1ºC at 760mmHg

Flash Point：

156.4ºC

Refractive Index：

1.517

Vapor Pressure：

0.000238mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

26-36/37/39

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, 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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:212.17
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:212.05613272
Monoisotopic Mass:212.05613272
Topological Polar Surface Area:28.7
Heavy Atom Count:15
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole

Basic Attributes
Characteristics
Safety Information
Computed Properties
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3-Phenyl-5-(trifluoromethyl)-1H-pyrazole

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