Acetic acid,2-(2-benzothiazolyloxy)- supplier

Name
2-Benzothiazole-2-oxyacetic acid
EINECS
CAS No. 2875-32-3
Article Data3
CAS DataBase
Density 1.479 g/cm³
Solubility
Melting Point
Formula C₉H₇NO₃S
Boiling Point 387.6 °C at 760 mmHg
Molecular Weight 209.22
Flash Point 188.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, (2-benzothiazolyloxy)- (6CI,7CI,8CI,9CI);NSC 53408;2-(1,3-Benzothiazol-2-yloxy)Acetic acid;(1,3-Benzothiazol-2-yloxy)acetic acid;Acetic acid, (2-benzothiazolyloxy)-;AC1L6BPJ;AC1Q5WRA;AR-1H6345;CID243507;
PSA 98.66000
LogP 1.41430

Acetic acid,2-(2-benzothiazolyloxy)- Specification

The Acetic acid,2-(2-benzothiazolyloxy)- with CAS registry number of 2875-32-3 is also known as (1,3-Benzothiazol-2-yloxy)acetic acid. The IUPAC name is 2-(1,3-Benzothiazol-2-yloxy)acetic acid. In addition, the formula is C₉H₇NO₃S and the molecular weight is 209.22.

Physical properties about Acetic acid,2-(2-benzothiazolyloxy)- are: (1)ACD/LogP: 2.50; (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: 3; (10)Polar Surface Area: 76.66Å²; (11)Index of Refraction: 1.68; (12)Molar Refractivity: 53.44 cm³; (13)Molar Volume: 141.3 cm³; (14)Polarizability: 21.18×10^-24cm³; (15)Surface Tension: 68.4 dyne/cm; (16)Density: 1.479 g/cm³; (17)Flash Point: 188.2 °C; (18)Enthalpy of Vaporization: 67.16 kJ/mol; (19)Boiling Point: 387.6 °C at 760 mmHg; (20)Vapour Pressure: 1.06E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(O)COc1nc2ccccc2s1
2. InChI: InChI=1/C9H7NO3S/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)
3. InChIKey: OPQIOIYLAKHILI-UHFFFAOYAR
4. Std. InChI: InChI=1S/C9H7NO3S/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)
5. Std. InChIKey: OPQIOIYLAKHILI-UHFFFAOYSA-N

Product Name

2-Benzothiazole-2-oxyacetic acid

Acetic acid,2-(2-benzothiazolyloxy)- Specification

Related Products

Hot Products