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5-METHYL-3-PHENYL-4-ISOXAZOLECARBALDEHYDE

5-METHYL-3-PHENYL-4-ISOXAZOLECARBALDEHYDE structure

CAS No:
87967-95-1
Formula:
C11H9NO2
Chemical Name:
5-METHYL-3-PHENYL-4-ISOXAZOLECARBALDEHYDE
Synonyms:
5-METHYL-3-PHENYL-4-ISOXAZOLECARBALDEHYDE;5-METHYL-3-PHENYLISOXAZOLE-4-CARBALDEHYDE;5-METHYL-3-PHENYLISOXAZOLE-4-CARBOXALDEHYDE;BUTTPARK 154\16-94;5-methyl-3-phenyl-1,2-oxazole-4-carbaldehyde;JR-8156, 5-Methyl-3-phenylisoxazole-4-carbaldehyde, 97%;5-Methyl-3-phenylisoxazole-4-carboxaldehyde 97%

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5-METHYL-3-PHENYL-4-ISOXAZOLECARBALDEHYDE Basic Attributes

Molecular Weight：

187.19

Exact Mass：

187.063328530

DSSTox ID：

DTXSID60379840

HScode：

2934999090

Characteristics

PSA：

43.10000

XLogP3：

2.46250

Density：

1.179g/cm3

Melting Point：

51-54 °C

Boiling Point：

110-112°C

Flash Point：

110ºC

Refractive Index：

1.58

Safety Information

wgk germany：

hazard class code：

safety instructions：

24/25

Marks：

Xi,Xn

GHS Classification：

|Warning|H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:187.19
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:187.063328530
Monoisotopic Mass:187.063328530
Topological Polar Surface Area:43.1
Heavy Atom Count:14
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-METHYL-3-PHENYL-4-ISOXAZOLECARBALDEHYDE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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