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ISOTHIAZOLE-5-CARBALDEHYDE

ISOTHIAZOLE-5-CARBALDEHYDE structure

CAS No:
5242-57-9
Formula:
C4H3NOS
Chemical Name:
ISOTHIAZOLE-5-CARBALDEHYDE
Synonyms:
5-Formylisothiazole;ISOTHIAZOLE-5-CARBALDEHYDE;5-Isothiazolecarboxaldehyde;1,2-thiazole-5-carbaldehyde;Isothiazole-5-carboxaldehyde;Isothiazole-5-carboxyaldehyde

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ISOTHIAZOLE-5-CARBALDEHYDE Basic Attributes

Molecular Weight：

113.138

Exact Mass：

112.993530

DSSTox ID：

DTXSID10200438

HScode：

2934999090

Characteristics

PSA：

58.20000

XLogP3：

0.23

Density：

1.4±0.1 g/cm3

Boiling Point：

100.7±23.0 °C at 760 mmHg

Flash Point：

14.7±22.6 °C

Refractive Index：

1.621

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:113.14
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:112.99353489
Monoisotopic Mass:112.99353489
Topological Polar Surface Area:58.2
Heavy Atom Count:7
Complexity:76.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ISOTHIAZOLE-5-CARBALDEHYDE

Basic Attributes
Characteristics
Safety Information
Computed Properties

ISOTHIAZOLE-5-CARBALDEHYDE

SDS

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