CAS No.90814-91-8,7-BROMO-2H-(1 4)-BENZOTHIAZIN-3(4H)-ONE& Suppliers

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Basic Information

Molecular Structure:
CAS No.:	90814-91-8
Name:	7-BROMO-2H-(1 4)-BENZOTHIAZIN-3(4H)-ONE&
Article Data:	6

Formula:	C₈H₆BrNOS
Molecular Weight:	244.112
Synonyms:	7-Bromo-2H,4H-benzo[e]1,4-thiazin-3-one;
Density:	1.689 g/cm³
Melting Point:	210-214 °C(lit.)
Boiling Point:	397.2 °C at 760 mmHg
Flash Point:	194 °C
Hazard Symbols:	Xi
Risk Codes:	43
Safety:	36/37
PSA:	54.40000
LogP:	2.63130

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Specification

The CAS registry number of 2H-1,4-Benzothiazin-3(4H)-one,7-bromo- is 90814-91-8. The systematic name is 7-Bromo-2H[1,4]benzothiazin-3(4H)-one. In addition, the molecular formula is C₈H₆BrNOS and the molecular weight is 244.11. What's more, it belongs to the classes of Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiazines; ThiazinesHeterocyclic Building Blocks.

Physical properties about 2H-1,4-Benzothiazin-3(4H)-one,7-bromo- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.67; (6)ACD/BCF (pH 7.4): 29.67; (7)ACD/KOC (pH 5.5): 393.99; (8)ACD/KOC (pH 7.4): 393.98; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 45.61 Å²; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 53.14 cm³; (15)Molar Volume: 144.4 cm³; (16)Polarizability: 21.06 ×10^-24cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.689 g/cm³; (19)Flash Point: 194 °C; (20)Enthalpy of Vaporization: 64.76 kJ/mol; (21)Boiling Point: 397.2 °C at 760 mmHg; (22)Vapour Pressure: 1.62E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It may cause sensitization by skin contact. When you are using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc1c(SCC(=O)N1)c2
(2)InChI: InChI=1/C8H6BrNOS/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
(3)InChIKey: MDFPWMKBRDOSGB-UHFFFAOYAK