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5-Isoxazolecarboxaldehyde,3-methyl-(6CI,7CI,9CI)

5-Isoxazolecarboxaldehyde,3-methyl-(6CI,7CI,9CI) structure

CAS No:
70753-36-5
Formula:
C5H5NO2
Chemical Name:
5-Isoxazolecarboxaldehyde,3-methyl-(6CI,7CI,9CI)
Synonyms:
3-METHYLISOXAZOLE-5-CARBALDEHYDE;3-Methyl-5-isoxazolecarbaldehyde;3-methyl-5-isoxazolecarbaldehyde(SALTDATA: FREE);5-Isoxazolecarboxaldehyde, 3-methyl- (6CI, 7CI, 9CI)

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5-Isoxazolecarboxaldehyde,3-methyl-(6CI,7CI,9CI) Basic Attributes

Molecular Weight：

111.09900

Exact Mass：

111.03200

DSSTox ID：

DTXSID20441956

HScode：

2934999090

Characteristics

PSA：

43.10000

XLogP3：

0.79550

Density：

1.19g/cm3

Melting Point：

180-182 °C

Boiling Point：

218.759ºC at 760 mmHg

Flash Point：

86.103ºC

Refractive Index：

1.516

Safety Information

safety instructions：

36/37-61

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H400

GHS Classification：

|Warning|H400 (95%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:111.10
XLogP3:0.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:111.032028402
Monoisotopic Mass:111.032028402
Topological Polar Surface Area:43.1
Heavy Atom Count:8
Complexity:94.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Isoxazolecarboxaldehyde,3-methyl-(6CI,7CI,9CI)

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-Isoxazolecarboxaldehyde,3-methyl-(6CI,7CI,9CI)

SDS

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