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Benzoyl chloride,3-chloro-2-fluoro-5-(trifluoromethyl)-

  • Name Benzoyl chloride,3-chloro-2-fluoro-5-(trifluoromethyl)-
  • EINECS-0
  • CAS No. 261763-03-5
  • Density1.576 g/cm3
  • PSA17.07000
  • LogP3.87690
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC8H2Cl2F4O
  • Boiling Point212.3 °C at 760 mmHg
  • Molecular Weight261.003
  • Flash Point82.2 °C
  • Transport Information3265
  • Appearanceliquid
  • Safety26-36/37/39
  • Risk Codes34-36/37/38
  • Molecular Structure
    Molecular Structure of 261763-03-5 (3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE)
  • Hazard SymbolsCorrosiveC
  • SynonymsCorrosiveC
  • Article Data4

Benzoyl chloride,3-chloro-2-fluoro-5-(trifluoromethyl)- Specification

The CAS register number of Benzoyl chloride,3-chloro-2-fluoro-5-(trifluoromethyl)- is 261763-03-5. The IUPAC name about this chemical is 3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride. The molecular formula about this chemical is C8H2Cl2F4O and the molecular weight is 261.

Physical properties about Benzoyl chloride,3-chloro-2-fluoro-5-(trifluoromethyl)- are: (1)ACD/LogP: 4.11; (2)ACD/LogD (pH 5.5): 4.11; (3)ACD/LogD (pH 7.4): 4.11; (4)ACD/BCF (pH 5.5): 780.12; (5)ACD/BCF (pH 7.4): 780.12; (6)ACD/KOC (pH 5.5): 4090.8; (7)ACD/KOC (pH 7.4): 4090.8; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.472; (12)Molar Refractivity: 46.36 cm3; (13)Molar Volume: 165.5 cm3; (14)Polarizability: 18.38x10-24cm3; (15)Surface Tension: 31.2 dyne/cm; (16)Density: 1.576 g/cm3; (17)Flash Point: 82.2 °C; (18)Enthalpy of Vaporization: 44.86 kJ/mol; (19)Boiling Point: 212.3 °C at 760 mmHg; (20)Vapour Pressure: 0.174 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It can cause burns and it may destroy living tissue on contact. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide, water, alcohol, amine, soda and reactive metal.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C(Cl)=O)cc(cc1Cl)C(F)(F)F
(2)InChI: InChI=1/C8H2Cl2F4O/c9-5-2-3(8(12,13)14)1-4(6(5)11)7(10)15/h1-2H
(3)InChIKey: WWXKIEVIKMYSCL-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H2Cl2F4O/c9-5-2-3(8(12,13)14)1-4(6(5)11)7(10)15/h1-2H
(5)Std. InChIKey: WWXKIEVIKMYSCL-UHFFFAOYSA-N

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