Isothiazol-3-one supplier | CasNO.1003-07-2

Name
thiazol-3-one
EINECS
CAS No. 1003-07-2
Density 1.433 g/cm³
Solubility
Melting Point 74-75 °C
Formula C₃H₃NOS
Boiling Point 86.333 °C at 760 mmHg
Molecular Weight 101.129
Flash Point 6.014 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Isothiazolin-3-one(7CI,8CI);3-Hydroxyisothiazole;3-Isothiazolol;3-Isothiazolone;3-Oxo-2,3-dihydroisothiazole;A 01;Duo Mei Jing;Ebotec aqua;Isothiazolin-3-one;NSC 93489;
PSA 61.10000
LogP 0.43640

Isothiazol-3-one Specification

The CAS register number of Isothiazol-3-one is 1003-07-2. It also can be called as 3-Isothiazolone and the systematic name about this chemical is 1,2-thiazol-3-one. The molecular formula about this chemical is C₃H₃NOS.

Physical properties about Isothiazol-3-one are: (1)ACD/LogP: 1.01; (2)ACD/LogD (pH 5.5): 0.991; (3)ACD/LogD (pH 7.4): 0.984; (4)ACD/BCF (pH 5.5): 3.298; (5)ACD/BCF (pH 7.4): 3.244; (6)ACD/KOC (pH 5.5): 80.598; (7)ACD/KOC (pH 7.4): 79.284; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 61.36Å²; (11)Index of Refraction: 1.614; (12)Molar Refractivity: 24.61 cm³; (13)Molar Volume: 70.567 cm³; (14)Polarizability: 9.756x10^-24cm³; (15)Surface Tension: 64.003 dyne/cm; (16)Enthalpy of Vaporization: 34.016 kJ/mol; (17)Boiling Point: 86.333 °C at 760 mmHg; (18)Vapour Pressure: 59.568 mmHg at 25°C.

Uses of Isothiazol-3-one: it can be used to produce 3-bromo-isothiazole at temperature of -70 - 50 ℃. This reaction will need reagent PBr₅ and solvent formic acid. The yield is about 81%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1csnc1O
(2)InChI: InChI=1/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)
(3)InChIKey: MGIYRDNGCNKGJU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)
(5)Std. InChIKey: MGIYRDNGCNKGJU-UHFFFAOYSA-N

Product Name

thiazol-3-one

Isothiazol-3-one Specification

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