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67338-65-2

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Basic Information
CAS No.: 67338-65-2
Name: Benazolin potassium salt
Molecular Structure:
Molecular Structure of 67338-65-2 (Benazolin potassium salt)
Formula: C9H5ClKNO3S
Molecular Weight: 281.7572
Synonyms: 3(2H)-Benzothiazoleaceticacid, 4-chloro-2-oxo-, potassium salt (9CI);Benazolin potassium salt;
EINECS: 266-652-5
Boiling Point: 468.4 °C at 760 mmHg
Flash Point: 237.1 °C
PSA: 90.37000
LogP: 0.46630
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Specification

The CAS register number of Benazolin potassium salt is 67338-65-2. It also can be called as Potassium 4-chloro-2-oxo-2H-benzothiazole-3-acetate and the IUPAC name about this chemical is potassium 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate. The molecular formula about this chemical is C9H5ClKNO3S and molecular weight is 281.76.

Physical properties about Benazolin potassium salt are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 0.22; (3)ACD/LogD (pH 7.4): -1.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.86; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 82.91Å2; (12)Flash Point: 237.1 °C; (13)Enthalpy of Vaporization: 76.97 kJ/mol; (14)Boiling Point: 468.4 °C at 760 mmHg; (15)Vapour Pressure: 1.42E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [K+].[O-]C(=O)CN1c2c(SC1=O)cccc2Cl
(2)InChI: InChI=1/C9H6ClNO3S.K/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6;/h1-3H,4H2,(H,12,13);/q;+1/p-1
(3)InChIKey: BVAQOPQXUNGRCM-REWHXWOFAV
(4)Std. InChI: InChI=1S/C9H6ClNO3S.K/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6;/h1-3H,4H2,(H,12,13);/q;+1/p-1
(5)Std. InChIKey: BVAQOPQXUNGRCM-UHFFFAOYSA-M

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
quail LD50 oral 2856mg/kg (2856mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A426, Pg. 1985,