2,4-Dichlorobenzothiazole supplier

Name
2,4-Dichlorobenzothiazole
EINECS 222-821-5
CAS No. 3622-30-8
Article Data8
CAS DataBase
Density 1.568 g/cm³
Solubility
Melting Point 96-97 °C
Formula C₇H₃Cl₂NS
Boiling Point 286.8 °C at 760 mmHg
Molecular Weight 204.08
Flash Point 127.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-DICHLOROBENZOTHIAZOLE;2,4-DICHLORO-1,3-BENZOTHIAZOLE;IFLAB-BB F1910-0008;Benzothiazole, 2,4-dichloro- (7CI,8CI,9CI);Benzothiazole, 2,4-dichloro-
PSA 41.13000
LogP 3.60310

2,4-Dichlorobenzothiazole Specification

The 2,4-Dichlorobenzothiazole, with CAS registry number 3622-30-8, belongs to the following product categorie: Benzothiazole. It has the systematic name of 2,4-dichloro-1,3-benzothiazole. And its IUPAC name is the same one. Its system generated number is 0003622308.

Physical properties about this chemical are: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4.01; (5)ACD/BCF (pH 5.5): 655.81; (6)ACD/BCF (pH 7.4): 655.81; (7)ACD/KOC (pH 5.5): 3612.87; (8)ACD/KOC (pH 7.4): 3612.87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 50.36 cm³; (15)Molar Volume: 130.1 cm³; (16)Polarizability: 19.96×10^-24cm³; (17)Surface Tension: 58.6 dyne/cm; (18)Enthalpy of Vaporization: 50.48 kJ/mol; (19)Vapour Pressure: 0.00446 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cccc1sc(Cl)nc12
(2)InChI: InChI=1/C7H3Cl2NS/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H
(3)InChIKey: JJWANONAOYNRME-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H3Cl2NS/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H
(5)Std. InChIKey: JJWANONAOYNRME-UHFFFAOYSA-N

Product Name

2,4-Dichlorobenzothiazole

2,4-Dichlorobenzothiazole Specification

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