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CAS No.: | 87674-68-8 |
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Name: | Dimethenamid |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C12H18ClNO2S |
Molecular Weight: | 275.799 |
Synonyms: | Dimethenamid;2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide;2-Chlor-N-(2,4-dimethyl-3-thienyl)-N-(1-methoxypropan-2-yl)acetamid;SAN 582;SAN 582H;Frontier Herbicide; |
Density: | 1.195 g/cm3 |
Melting Point: | 25°C |
Boiling Point: | 382.9 °C at 760 mmHg |
Flash Point: | 185.4 °C |
Appearance: | Yellow-brown viscous liquid |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 57.78000 |
LogP: | 2.97160 |
The Dimethenamid, with the CAS registry number 87674-68-8, has the systematic name of 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide. It is harmful if swallowed, and should be stored at 0-6°C. The molecular formula of the chemical is C12H18ClNO2S.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.38; (6)ACD/BCF (pH 7.4): 25.38; (7)ACD/KOC (pH 5.5): 352.34; (8)ACD/KOC (pH 7.4): 352.35; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 57.78 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 73.71 cm3; (15)Molar Volume: 230.7 cm3; (16)Polarizability: 29.22×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.195 g/cm3; (19)Flash Point: 185.4 °C; (20)Enthalpy of Vaporization: 63.14 kJ/mol; (21)Boiling Point: 382.9 °C at 760 mmHg; (22)Vapour Pressure: 4.57E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCC(=O)N(c1c(scc1C)C)C(COC)C
(2)InChI: InChI=1/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3
(3)InChIKey: JLYFCTQDENRSOL-UHFFFAOYAR