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Isothiazolin-3-one

Isothiazolin-3-one structure

CAS No:
1003-07-2
Formula:
C3H3NOS
Chemical Name:
Isothiazolin-3-one
Synonyms:
3(2H)-Isothiazolone;4-Isothiazolin-3-one;3-Isothiazolone;3-Isothiazolol;3-Hydroxyisothiazole;Isothiazolinone;Ebotec aqua;Duo Mei Jing;Isothiazolin-3-one;3-Oxo-2,3-dihydroisothiazole;NSC 93489;A 01;GT 2060;PT 490;1,2-Isothiazole-3-one;GY 506;1,2-Thiazol-3-one;Xarcin AB;20599-55-7

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Isothiazolin-3-one Basic Attributes

Molecular Weight：

101.13

Exact Mass：

101.13

UNII：

E57JT172V7

NSC Number：

93489

DSSTox ID：

DTXSID9074935

HScode：

2934999090

Characteristics

PSA：

54.4

XLogP3：

-0.1

Density：

1.366±0.06 g/cm3(Predicted)

Melting Point：

74-75 °C

Flash Point：

6.0±22.6 °C

Refractive Index：

1.614

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.

Drug Information

MeSH Entry Terms：

3-isothiazolone

Computed Properties

Molecular Weight:101.13
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:100.99353489
Monoisotopic Mass:100.99353489
Topological Polar Surface Area:54.4
Heavy Atom Count:6
Complexity:99
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1003-07-2

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CAS No.: 1003-07-2

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Guide of Isothiazolin-3-one

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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Isothiazolin-3-one

SDS

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