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2H-1,4-Benzothiazine-2-aceticacid, 3,4-dihydro-3-oxo-

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Name

2H-1,4-Benzothiazine-2-aceticacid, 3,4-dihydro-3-oxo-

EINECS N/A
CAS No. 6270-74-2 Density 1.391 g/cm3
PSA 91.70000 LogP 1.71210
Solubility N/A Melting Point 182-186 °C
Formula C10H9NO3S Boiling Point 509.9 °C at 760 mmHg
Molecular Weight 223.252 Flash Point 262.2 °C
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 43
Molecular Structure Molecular Structure of 6270-74-2 ((3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL)ACETIC ACID) Hazard Symbols IrritantXi
Synonyms

NSC 35807;2-(3-Oxo-4H-1,4-benzothiazin-2-yl)acetic acid;

Article Data 19

2H-1,4-Benzothiazine-2-aceticacid, 3,4-dihydro-3-oxo- Specification

The 2H-1,4-Benzothiazine-2-aceticacid, 3,4-dihydro-3-oxo-, with the CAS registry number 6270-74-2, is also known as (3-Oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetic acid. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Thiazines. This chemical's molecular formula is C10H9NO3S and molecular weight is 223.25. What's more, its IUPAC name is called 2-(3-Oxo-4H-1,4-benzothiazin-2-yl)acetic acid. It should be kept in a cold, dry and sealed place.

Physical properties about 2H-1,4-Benzothiazine-2-aceticacid, 3,4-dihydro-3-oxo- are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.87; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 71.91 Å2; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 56.34 cm3; (13)Molar Volume: 160.4 cm3; (14)Surface Tension: 55.7 dyne/cm; (15)Density: 1.391 g/cm3; (16)Flash Point: 262.2 °C; (17)Enthalpy of Vaporization: 82.18 kJ/mol; (18)Boiling Point: 509.9 °C at 760 mmHg; (19)Vapour Pressure: 3.21E-11 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. It may cause sensitisation by skin contacting. Therefore, you should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1Nc2c(SC1CC(=O)O)cccc2
(2) InChI: InChI=1/C10H9NO3S/c12-9(13)5-8-10(14)11-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H,11,14)(H,12,13)
(3) InChIKey: QWXLTZQRYJBZQT-UHFFFAOYAE

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