Basic information
- Name:
Cyclopropanecarboxylicacid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluorophenyl)methylester, (1R,3S)-
- Superlist Name:
- Transfluthrin
- CAS No.:
118712-89-3
- Molecular Structure:
- Formula:
- C15H12Cl2F4O2
- Molecular Weight:
- 371.15
- Synonyms:
- Cyclopropanecarboxylicacid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluorophenyl)methylester, (1R-trans)-;2,3,5,6-Tetrafluorobenzyl(+)-(1R-trans)-2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate;Bayothrin;Benfluthrin;
- Density:
- 1.492 g/cm3
- Boiling Point:
- 351.4 °C at 760 mmHg
- Flash Point:
- 115.5 °C
- Solubility:
- insoluble in water, soluble in most organic solvents
- Appearance:
- colorless crystals
- Hazard Symbols:
Xi,
N- Risk Codes:
- 38-50/53
- Safety Description:
- 36/37-60-61 Details
- Transport Information:
- UN 3077
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Specification
The IUPAC name of Transfluthrin is (2,3,5,6-tetrafluorophenyl)methyl(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate. With the CAS registry number 118712-89-3, it is also named as Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluorophenyl)methyl ester, (1R,3S)-. The product's categories are Alpha Sort; Insecticides; Pesticides; Pesticides & Metabolites; Q-ZAlphabetic; TP - TZ. Pure product is colorless crystals with a slight smell and industrial product is brown-red sticky liquid which is containing a small amount of crystals.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.4; (4)ACD/LogD (pH 7.4): 5.4; (5)ACD/BCF (pH 5.5): 7427.73; (6)ACD/BCF (pH 7.4): 7427.73; (7)ACD/KOC (pH 5.5): 20528.13; (8)ACD/KOC (pH 7.4): 20528.13; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 79.22 cm3; (14)Molar Volume: 248.7 cm3; (15)Polarizability: 31.4×10-24 cm3; (16)Surface Tension: 44.8 dyne/cm; (17)Enthalpy of Vaporization: 59.61 kJ/mol; (18)Vapour Pressure: 4.12E-05 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 370.015048; (21)MonoIsotopic Mass: 370.015048; (22)Topological Polar Surface Area: 26.3; (23)Heavy Atom Count: 23; (24)Complexity: 482; (25)Defined Atom StereoCenter Count: 2.
Uses of Transfluthrin: It is a fast-acting pyrethroid insecticide with low persistency. It can be used in the indoor environment against flies, mosquitoes and cockroaches.
When you are using this chemical, please be cautious about it as the following:
It is not only irritating to skin, but also very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. If you want to contact this product, you must wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl/C(Cl)=C/[C@@H]2[C@@H](C(=O)OCc1c(F)c(F)cc(F)c1F)C2(C)C
2. InChI:InChI=1/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1
3. InChIKey:DDVNRFNDOPPVQJ-HQJQHLMTBF