-
Name
FLUSULFAMIDE
- EINECS
- CAS No. 106917-52-6
- Density 1.675 g/cm3
- Solubility Water - 2.9mg/kg at 25°C
- Melting Point 168～173℃
- Formula C13H7Cl2F3N2O4S
- Boiling Point 498.2 °C at 760 mmHg
- Molecular Weight 415.177
- Flash Point 255.1 °C
- Transport Information
- Appearance
- Safety
-
Risk Codes
Xi:;
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms 3-Trifluoromethyl-4-chlorobenzenesulfone-2-chloro-4-nitroanilide;Flusulfamide;MTF 651;
- PSA 100.37000
- LogP 6.39820
Flusulfamide Specification
The Flusulfamide with the CAS number 106917-52-6 is also called Benzenesulfonamide,4-chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)-. Both the systematic name and IUPAC name are 4-chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)
benzenesulfonamide. Its molecular formula is C13H7Cl2F3N2O4S. This chemical should stored at 0-6°C.
The properties of the chemical are: (1)ACD/LogP: 5.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.68; (4)ACD/LogD (pH 7.4): 4.75; (5)ACD/BCF (pH 5.5): 11927.25; (6)ACD/BCF (pH 7.4): 1399.47; (7)ACD/KOC (pH 5.5): 27918.46; (8)ACD/KOC (pH 7.4): 3275.77; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 91.58 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 84.6 cm3; (15)Molar Volume: 247.8 cm3; (16)Polarizability: 33.54×10-24cm3; (17)Surface Tension: 56.2 dyne/cm; (18)Enthalpy of Vaporization: 76.64 kJ/mol; (19)Vapour Pressure: 4.62×10-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(ccc2NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)[N+]([O-])=O
(2)InChI: InChI=1/C13H7Cl2F3N2O4S/c14-10-3-2-8(6-9(10)13(16,17)18)25(23,24)19-12-4-1-7(20(21)22)5-11(12)15/h1-6,19H
(3)InChIKey: GNVDAZSPJWCIQZ-UHFFFAOYAG
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 245mg/kg (245mg/kg) | Pesticide Manual. Vol. 9, Pg. 425, 1991. | |
| rat | LC50 | inhalation | 470mg/m3 (470mg/m3) | Agrochemcicals Japan. Vol. (65), Pg. 17, 1994. | |
| rat | LD50 | oral | 132mg/kg (132mg/kg) | Pesticide Manual. Vol. 9, Pg. 425, 1991. | |
| rat | LD50 | skin | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 425, 1991. |
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