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5-Phenyloxazole

5-Phenyloxazole structure

CAS No:
1006-68-4
Formula:
C9H7NO
Chemical Name:
5-Phenyloxazole
Synonyms:
Oxazole,5-phenyl-;5-Phenyloxazole;5-Phenyl-1,3-oxazole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

light yellow to orange crystalline low melting

5-Phenyloxazole Basic Attributes

Molecular Weight：

145.161

Exact Mass：

145.16

DSSTox ID：

DTXSID40343362

HScode：

2934999090

Characteristics

PSA：

XLogP3：

Density：

1.1555 (rough estimate)

Melting Point：

41-42 °C

Boiling Point：

65 °C @ Press: 0.1 Torr

Flash Point：

102.8±14.6 °C

Refractive Index：

1.4500 (estimate)

Safety Information

wgk germany：

hazard class code：

R11

safety instructions：

24/25-45-36/37/39-26-16

Marks：

Xi,C,F,Xn

Precautionary statement(s)：

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

Hazard Statements：

H315

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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-phenyl oxazole

Computed Properties

Molecular Weight:145.16
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:145.052763847
Monoisotopic Mass:145.052763847
Topological Polar Surface Area:26
Heavy Atom Count:11
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes