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3-Phenylpyrazole

3-Phenylpyrazole structure

CAS No:
2458-26-6
Formula:
C9H8N2
Chemical Name:
3-Phenylpyrazole
Synonyms:
1H-Pyrazole,3-phenyl-;Pyrazole,3-phenyl-;Pyrazole,3(or 5)-phenyl-;3-Phenyl-1H-pyrazole;3-Phenylpyrazole;5-Phenyl-1H-pyrazole;5-Phenylpyrazole;27032-44-6;141665-21-6;165545-65-3;727414-83-7;1344677-00-4;1361300-48-2;1369490-50-5;1448695-00-8
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to yellowish-orange powder

3-Phenylpyrazole Basic Attributes

Molecular Weight：

144.177

Exact Mass：

144.17

DSSTox ID：

DTXSID40179320

HScode：

2933199090

Characteristics

PSA：

28.7

XLogP3：

1.9

Appearance：

white to yellowish-orange powder

Density：

1.1037 g/cm³ @ Temp: 18.9 °C

Melting Point：

78 °C

Boiling Point：

189-196 °C @ Press: 20 Torr

Flash Point：

163.8±12.2 °C

Refractive Index：

1.603

Vapor Pressure：

0.000185mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

R22;R36/37/38

safety instructions：

S37/39-S26

RTECS Number：

UQ7950000

Marks：

Xn:Harmful;

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.62%): 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 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:144.17
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:144.068748264
Monoisotopic Mass:144.068748264
Topological Polar Surface Area:28.7
Heavy Atom Count:11
Complexity:119
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 2458-26-6

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