3-Chloro-4-(trifluoromethoxy)benzaldehyde supplier

Name
3-CHLORO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE
EINECS
CAS No. 83279-38-3
Article Data2
CAS DataBase
Density 1.423 g/cm³
Solubility Insoluble in water.
Melting Point
Formula C₈H₄ClF₃O
Boiling Point 232.9 °C at 760 mmHg
Molecular Weight 208.567
Flash Point 94.6 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Chloro-4-(trifluoromethyl)benzaldehyde;Benzaldehyde, 3-chloro-4-(trifluoromethyl)-;
PSA 17.07000
LogP 3.17130

3-Chloro-4-(trifluoromethoxy)benzaldehyde Specification

The Benzaldehyde,3-chloro-4-(trifluoromethyl)-, with the CAS registry number 83279-38-3, has the systematic name of 3-chloro-4-(trifluoromethyl)benzaldehyde. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₄ClF₃O.

The characteristics of Benzaldehyde,3-chloro-4-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 213.17; (6)ACD/BCF (pH 7.4): 213.17; (7)ACD/KOC (pH 5.5): 1616.25; (8)ACD/KOC (pH 7.4): 1616.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 42.88 cm³; (15)Molar Volume: 146.5 cm³; (16)Polarizability: 16.99×10^-24cm³; (17)Surface Tension: 30.8 dyne/cm; (18)Density: 1.423 g/cm³; (19)Flash Point: 94.6 °C; (20)Enthalpy of Vaporization: 46.96 kJ/mol; (21)Boiling Point: 232.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0576 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1Cl)C=O
(2)InChI: InChI=1/C8H4ClF3O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-4H
(3)InChIKey: UTSBZTCYCRVHCK-UHFFFAOYAO

Product Name

3-CHLORO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE

3-Chloro-4-(trifluoromethoxy)benzaldehyde Specification

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