CAS No.2407-11-6,2-Chloro-6-nitrobenzothiazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2407-11-6
Name:	2-Chloro-6-nitrobenzothiazole
Article Data:	37

Formula:	C₇H₃ClN₂O₂S
Molecular Weight:	214.632
Synonyms:	2-Chloro-6-nitrobenzothiazole;6-Nitro-2-chlorobenzothiazole;NSC 503418;
EINECS:	219-302-0
Density:	1.65 g/cm³
Melting Point:	192-195 °C
Boiling Point:	348.1 °C at 760 mmHg
Flash Point:	164.3 °C
Appearance:	Yellow solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	86.95000
LogP:	3.38110

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Specification

The CAS register number of 2-Chloro-6-nitrobenzothiazole is 2407-11-6. It also can be called as 2-Chloro-6-nitrobenzo[d]thiazole and the IUPAC name about this chemical is 2-chloro-6-nitro-1,3-benzothiazole. The molecular formula about this chemical is C₇H₃ClN₂O₂S and the molecular weight is 214.63. It belongs to the Benzothiazole.

Physical properties about 2-Chloro-6-nitrobenzothiazole are: (1)ACD/LogP: 3.14; (2)ACD/LogD (pH 5.5): 3.14; (3)ACD/LogD (pH 7.4): 3.14; (4)ACD/BCF (pH 5.5): 144.33; (5)ACD/BCF (pH 7.4): 144.33; (6)ACD/KOC (pH 5.5): 1222.57; (7)ACD/KOC (pH 7.4): 1222.57; (8)#H bond acceptors: 4 ; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 86.95Å²; (11)Index of Refraction: 1.731; (12)Molar Refractivity: 52.01 cm³; (13)Molar Volume: 130 cm³; (14)Polarizability: 20.61x10^-24cm³; (15)Surface Tension: 72.7 dyne/cm; (16)Enthalpy of Vaporization: 56.91 kJ/mol; (17)Boiling Point: 348.1 °C at 760 mmHg; (18)Vapour Pressure: 0.000103 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-chloro-benzothiazole. This reaction will need reagent HNO₃+H₂SO₄.

Uses of 2-Chloro-6-nitrobenzothiazole: it can be used to produce 2-azido-6-nitro-benzothiazole at temperature of 55 ℃. This reaction will need reagent natriumazide and solvent dimethylformamide with reaction time of 15 min. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2nc(Cl)sc2c1
(2)InChI: InChI=1/C7H3ClN2O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H
(3)InChIKey: KUCSJGBXJBQHNI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H3ClN2O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H
(5)Std. InChIKey: KUCSJGBXJBQHNI-UHFFFAOYSA-N