Benzoic acid,4-(trifluoromethoxy)-, methyl ester supplier

Name
METHYL 4-(TRIFLUOROMETHOXY)BENZOATE
EINECS
CAS No. 780-31-4
Article Data10
CAS DataBase
Density 1.312 g/cm³
Solubility
Melting Point
Formula C₉H₇F₃O₃
Boiling Point 211.9 °C at 760 mmHg
Molecular Weight 220.148
Flash Point 79.9 °C
Transport Information
Appearance
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms p-Anisicacid, a,a,a-trifluoro-, methyl ester (6CI,8CI);4-Trifluoromethoxybenzoic acid methylester;Methyl 4-(trifluoromethoxy)benzoate;Methyl p-(trifluoromethoxy)benzoate;Benzoic acid, 4-(trifluoromethoxy)-, methyl ester;Methyl 4-(trifluoromethoxy)benzoate;3-(Trifluoromethyl)cinnamic acid;4-(Trifluoromethoxy) Benzoic Acid Methyl Ester;
PSA 35.53000
LogP 2.37180

Benzoic acid,4-(trifluoromethoxy)-, methyl ester Specification

The Benzoic acid,4-(trifluoromethoxy)-, methyl ester, with the CAS registry number 780-31-4, has systematic name of methyl 4-(trifluoromethoxy)benzoate. It belongs to the product category of Benzene series. And the molecular formula of the chemical is C₉H₇F₃O₃.

The characteristics of Benzoic acid,4-(trifluoromethoxy)-, methyl ester are as followings: (1)ACD/LogP; 3.31; (2)# of Rule of 5 Violations; 0; (3)#H bond acceptors; 3; (4)#H bond donors; 0; (5)#Freely Rotating Bonds; 3; (6)Polar Surface Area; 35.53 Å²; (7)Index of Refraction; 1.451; (8)Molar Refractivity; 45.16 cm³; (9)Molar Volume; 167.7 cm³; (10)Polarizability; 17.9 10-24cm³; (11)Surface Tension; 29.9 dyne/cm; (12)Density; 1.312 g/cm³; (13)Flash Point; 79.9 °C; (14)Enthalpy of Vaporization; 44.82 kJ/mol; (15)Boiling Point; 211.9 °C at 760 mmHg; (16)Vapour Pressure; 0.178 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)Oc1ccc(cc1)C(=O)OC
(2)InChI: InChI=1/C9H7F3O3/c1-14-8(13)6-2-4-7(5-3-6)15-9(10,11)12/h2-5H,1H3
(3)InChIKey: JFFLBWZTJAWGNP-UHFFFAOYAZ

Product Name

METHYL 4-(TRIFLUOROMETHOXY)BENZOATE

Benzoic acid,4-(trifluoromethoxy)-, methyl ester Specification

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