2-Benzothiazolecarboxylicacid, 6-methoxy- supplier

Name
6-METHOXYBENZOTHIAZOLE-2-CARBOXYLIC ACID
EINECS
CAS No. 946-13-4
Article Data8
CAS DataBase
Density 1.465 g/cm³
Solubility
Melting Point 119-120℃
Formula C₉H₇NO₃S
Boiling Point 412.34 °C at 760 mmHg
Molecular Weight 209.225
Flash Point 203.176 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Methoxybenzothiazole-2-carboxylicacid;6-methoxy-1,3-benzothiazole-2-carboxylic acid;6-Methoxybenzothiazole-2-carboxylic acid;Benzothiazole-2-carboxylic acid, 6-methoxy-;
PSA 87.66000
LogP 2.00310

2-Benzothiazolecarboxylicacid, 6-methoxy- Specification

The 2-Benzothiazolecarboxylicacid, 6-methoxy-, with the CAS registry number 946-13-4, has the systematic name of 6-methoxy-1,3-benzothiazole-2-carboxylic acid. It belongs to the product categories of Benzothiazole and Sulphur Derivatives. And the molecular formula of the chemical is C₉H₇NO₃S.

The characteristics of 2-Benzothiazolecarboxylicacid, 6-methoxy- are as followings: (1)ACD/LogP: 1.78; (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; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 87.66 Å²; (11)Index of Refraction: 1.684; (12)Molar Refractivity: 54.18 cm³; (13)Molar Volume: 142.784 cm³; (14)Polarizability: 21.478×10^-24cm³; (15)Surface Tension: 66.154 dyne/cm; (16)Density: 1.465 g/cm³; (17)Flash Point: 203.176 °C; (18)Enthalpy of Vaporization: 70.111 kJ/mol; (19)Boiling Point: 412.34 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1ccc2c(c1)sc(n2)C(=O)O
(2)InChI: InChI=1/C9H7NO3S/c1-13-5-2-3-6-7(4-5)14-8(10-6)9(11)12/h2-4H,1H3,(H,11,12)
(3)InChIKey: JDKMYJZEGZZJOH-UHFFFAOYAH

Product Name

6-METHOXYBENZOTHIAZOLE-2-CARBOXYLIC ACID

2-Benzothiazolecarboxylicacid, 6-methoxy- Specification

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