CAS No.6270-74-2,(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL)ACETIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6270-74-2
Name:	(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL)ACETIC ACID
Article Data:	19

Formula:	C₁₀H₉NO₃S
Molecular Weight:	223.252
Synonyms:	NSC 35807;2-(3-Oxo-4H-1,4-benzothiazin-2-yl)acetic acid;
Density:	1.391 g/cm³
Melting Point:	182-186 °C
Boiling Point:	509.9 °C at 760 mmHg
Flash Point:	262.2 °C
Hazard Symbols:	Xi
Risk Codes:	43
Safety:	36/37
PSA:	91.70000
LogP:	1.71210

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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