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5-Phenyl-3(2H)-isoxazolone

5-Phenyl-3(2H)-isoxazolone structure

CAS No:
939-05-9
Formula:
C9H7NO2
Chemical Name:
5-Phenyl-3(2H)-isoxazolone
Synonyms:
3(2H)-Isoxazolone,5-phenyl-;3-Isoxazolol,5-phenyl-;4-Isoxazolin-3-one,5-phenyl-;5-Phenyl-3(2H)-isoxazolone;3-Hydroxy-5-phenylisoxazole;5-Phenyl-3-hydroxyisoxazole;29412-90-6

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Description

5-phenylisoxazol-3-ol is a member of isoxazoles and a heteroaryl hydroxy compound.

5-Phenyl-3(2H)-isoxazolone Basic Attributes

Molecular Weight：

161.15700

Exact Mass：

161.16

DSSTox ID：

DTXSID70239860

HScode：

2934999090

Characteristics

PSA：

46.26000

XLogP3：

2.04720

Density：

1.261g/cm3

Melting Point：

163-164 °C

Boiling Point：

372.7ºC at 760mmHg

Flash Point：

179.2ºC

Refractive Index：

1.587

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:161.16
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:38.3
Heavy Atom Count:12
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Phenyl-3(2H)-isoxazolone

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

5-Phenyl-3(2H)-isoxazolone

SDS

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