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1-Phenylpyrazole

1-Phenylpyrazole structure

CAS No:
1126-00-7
Formula:
C9H8N2
Chemical Name:
1-Phenylpyrazole
Synonyms:
1H-Pyrazole,1-phenyl-;Pyrazole,1-phenyl-;1-Phenyl-1H-pyrazole;1-Phenylpyrazole;N-Phenylpyrazole;NSC 65588;1523432-01-0
Categories:
Pharmaceutical Intermediates > Oled Material Intermediate

Description

clear yellow to brown liquidChEBI: A member of the class of pyrazoles that is 1H-pyrazole substituted by a phenyl group at position 1.

1-phenylpyrazole is a member of the class of pyrazoles that is 1H-pyrazole substituted by a phenyl group at position 1. It is a member of pyrazoles and a member of benzenes. It derives from a hydride of a 1H-pyrazole.

1-Phenylpyrazole Basic Attributes

Molecular Weight：

144.17

Exact Mass：

144.17

BRN：

2594

EC Number：

214-415-1

NSC Number：

65588

DSSTox ID：

DTXSID30150108

HScode：

29339900

Characteristics

PSA：

17.8

XLogP3：

2.2

Appearance：

clear yellow to brown liquid

Density：

1.0908 g/cm³ @ Temp: 20 °C

Melting Point：

138 °C

Boiling Point：

141-142 °C

Flash Point：

109°C

Refractive Index：

1.594-1.598

Water Solubility：

Soluble in water.

Vapor Pressure：

0.0338mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

37/39-26

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 200 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:144.17
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:144.068748264
Monoisotopic Mass:144.068748264
Topological Polar Surface Area:17.8
Heavy Atom Count:11
Complexity:119
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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