The Benzoyl chloride,4-methoxy-3-(trifluoromethyl)- is an organic compound with the formula C9H6ClF3O2. The IUPAC name of this chemical is 4-methoxy-3-(trifluoromethyl)benzoyl chloride. With the CAS registry number 98187-18-9, it is also named as 3-Trifluoromethyl-p-anisoyl chloride. Besides, it should be stored in a closed cool and dry place.
Physical properties about Benzoyl chloride,4-methoxy-3-(trifluoromethyl)- are: (1)ACD/LogP: 3.90; (2)ACD/LogD (pH 5.5): 3.89; (3)ACD/LogD (pH 7.4): 3.89; (4)ACD/BCF (pH 5.5): 536.87; (5)ACD/BCF (pH 7.4): 536.87; (6)ACD/KOC (pH 5.5): 3130.71; (7)ACD/KOC (pH 7.4): 3130.71; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.467; (12)Molar Refractivity: 48.15 cm3; (13)Molar Volume: 173.3 cm3; (14)Polarizability: 19.09×10-24cm3; (15)Surface Tension: 29.7 dyne/cm; (16)Density: 1.376 g/cm3; (17)Flash Point: 120.8 °C; (18)Enthalpy of Vaporization: 52.26 kJ/mol; (19)Boiling Point: 283.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00313 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1ccc(OC)c(c1)C(F)(F)F
(2)InChI: InChI=1/C9H6ClF3O2/c1-15-7-3-2-5(8(10)14)4-6(7)9(11,12)13/h2-4H,1H3
(3)InChIKey: PBKYPTQBAQQVPT-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H6ClF3O2/c1-15-7-3-2-5(8(10)14)4-6(7)9(11,12)13/h2-4H,1H3
(5)Std. InChIKey: PBKYPTQBAQQVPT-UHFFFAOYSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View