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Isoxazolium, 2-(1,1-dimethylethyl)-5-methyl-, perchlorate (1:1)

Isoxazolium, 2-(1,1-dimethylethyl)-5-methyl-, perchlorate (1:1) structure

CAS No:
10513-45-8
Formula:
C8H14NO.ClO4
Chemical Name:
Isoxazolium, 2-(1,1-dimethylethyl)-5-methyl-, perchlorate (1:1)
Synonyms:
Isoxazolium,2-(1,1-dimethylethyl)-5-methyl-,perchlorate (1:1);Isoxazolium,2-tert-butyl-5-methyl-,perchlorate;Isoxazolium,2-(1,1-dimethylethyl)-5-methyl-,perchlorate;2-tert-Butyl-5-methylisoxazolium perchlorate;N-tert-Butyl-5-methylisoxazolium perchlorate;NSC 86127

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Isoxazolium, 2-(1,1-dimethylethyl)-5-methyl-, perchlorate (1:1) Basic Attributes

Molecular Weight：

239.65300

Exact Mass：

239.0560502 g/mol

EC Number：

234-048-0

NSC Number：

86127

DSSTox ID：

DTXSID90146981

HScode：

2934999090

Characteristics

PSA：

91.29000

XLogP3：

1.84480

Melting Point：

119-121 °C

Safety Information

Packing level：

III

Hazard category：

5.1

Transport codes：

UN 1479

hazard class code：

R8; R36/37/38

safety instructions：

S17; S26; S36; S16

Marks：

O; Xi

GHS Classification：

|Warning|H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]|P210, P220, P221, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

N,t-butyl-5-methyl isoxazolium perchlorate

Computed Properties

Molecular Weight:239.65
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:239.0560502
Monoisotopic Mass:239.0560502
Topological Polar Surface Area:91.3
Heavy Atom Count:15
Complexity:213
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of Isoxazolium, 2-(1,1-dimethylethyl)-5-methyl-, perchlorate (1:1)

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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