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4-(BROMOMETHYL)ISOXAZOLE

4-(BROMOMETHYL)ISOXAZOLE structure

CAS No:
6455-40-9
Formula:
C4H4BrNO
Chemical Name:
4-(BROMOMETHYL)ISOXAZOLE
Synonyms:
4-(bromomethyl)-1,2-oxazole;4-(bromomethyl)isoxazole;4-bromomethylisoxazole;4-bromomethyl-isoxazole;Isoxazole, 4-(bromomethyl)-;SCHEMBL6833847;CTK5I9892;DTXSID60475896;Benzene, 1-ethynyl-3,5-dimethyl-;ZINC36379623

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4-(BROMOMETHYL)ISOXAZOLE Basic Attributes

Molecular Weight：

161.98500

Exact Mass：

160.94800

DSSTox ID：

DTXSID60475896

HScode：

2934999090

Characteristics

PSA：

26.03000

XLogP3：

1.56950

Density：

1.706 g/cm3

Boiling Point：

214.2ºC at 760 mmHg

Flash Point：

83.3ºC

Safety Information

safety instructions：

Marks：

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|Aggregated GHS information provided by 195 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:161.98
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:160.94763
Monoisotopic Mass:160.94763
Topological Polar Surface Area:26
Heavy Atom Count:7
Complexity:59.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(BROMOMETHYL)ISOXAZOLE

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-(BROMOMETHYL)ISOXAZOLE

SDS

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