6-Benzothiazolecarboxylicacid, 2-methyl- supplier

Name
2-METHYL-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID
EINECS
CAS No. 6941-28-2
Article Data7
CAS DataBase
Density 1.431 g/cm³
Solubility
Melting Point 229-232 °C
Formula C₉H₇NO₂S
Boiling Point 385.221 °C at 760 mmHg
Molecular Weight 193.226
Flash Point 186.775 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Methyl-6-benzothiazolecarboxylicacid;6-Carboxy-2-methylbenzothiazole;NSC 60500;
PSA 78.43000
LogP 2.30290

6-Benzothiazolecarboxylicacid, 2-methyl- Specification

The 6-Benzothiazolecarboxylicacid, 2-methyl-, with the CAS registry number 6941-28-2, is also known as 6-Benzothiazolecarboxylicacid,2-methyl-(6Cl,7Cl,8Cl,9Cl). It belongs to the product category of Benzothiazole. This chemical's molecular formula is C₉H₇NO₂S and molecular weight is 193.22. What's more, both its IUPAC name and systematic name are the same which is called 2-methyl-1,3-benzothiazole-6-carboxylic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties 6-Benzothiazolecarboxylicacid, 2-methyl- are: (1)ACD/LogP: 1.61; (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): 4.272; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 78.43 Å²; (11)Index of Refraction: 1.702; (12)Molar Refractivity: 52.326 cm³; (13)Molar Volume: 135.057 cm³; (14)Polarizability: 20.744×10^-24cm³; (15)Surface Tension: 68.248 dyne/cm; (16)Density: 1.431 g/cm³; (17)Flash Point: 186.775 °C; (18)Enthalpy of Vaporization: 66.873 kJ/mol; (19)Boiling Point: 385.221 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C; (21)Melting Point: 229-232 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1nc2ccc(cc2s1)C(=O)O
(2) InChI: InChI=1/C9H7NO2S/c1-5-10-7-3-2-6(9(11)12)4-8(7)13-5/h2-4H,1H3,(H,11,12)
(3) InChIKey: SWCQGCDTPJOMFY-UHFFFAOYAS

Product Name

2-METHYL-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID

6-Benzothiazolecarboxylicacid, 2-methyl- Specification

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