(5-Chloro-2-(trifluoromethoxy)phenyl)methanamine supplier

Name
(5-chloro-2-(trifluoromethoxy)phenyl)methanamine
EINECS
CAS No. 874821-50-8
Density 1.395 g/cm³
Solubility
Melting Point
Formula C₈H₇ClF₃NO
Boiling Point 214.773 °C at 760 mmHg
Molecular Weight 225.60
Flash Point 83.692 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chloro-2-(trifluoromethoxy)benzylamine; Z1R CG FOXFFF; LogP
PSA 35.25000
LogP 3.39760

(5-Chloro-2-(trifluoromethoxy)phenyl)methanamine Specification

This product is an organic compound with the formula C₈H₇ClF₃NO. The IUPAC name of this chemical is [5-chloro-2-(trifluoromethoxy)phenyl]methanamine. With the CAS registry number 874821-50-8, it is also named as Benzenemethanamine, 5-chloro-2-(trifluoromethoxy)-. In addition, the molecular weight is 225.60.

The other characteristics of (5-Chloro-2-(trifluoromethoxy)phenyl)methanamine can be summarized as: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.766; (4)ACD/LogD (pH 7.4): 2.472; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 29.322; (7)ACD/KOC (pH 5.5): 4.685; (8)ACD/KOC (pH 7.4): 238.081; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.25 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 46.735 cm³; (15)Molar Volume: 161.766 cm³; (16)Polarizability: 18.527×10^-24 cm³; (17)Surface Tension: 33.533 dyne/cm; (18)Density: 1.395 g/cm³; (19)Flash Point: 83.692 °C; (20)Enthalpy of Vaporization: 45.111 kJ/mol; (21)Boiling Point: 214.773 °C at 760 mmHg; (22)Vapour Pressure: 0.153 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:c1cc(c(cc1Cl)CN)OC(F)(F)F
2. InChI:InChI=1/C8H7ClF3NO/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3H,4,13H2
3. InChIKey:JDHHWYYMKYZFOI-UHFFFAOYAB
4. Std. InChI:InChI=1S/C8H7ClF3NO/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3H,4,13H2
5. Std. InChIKey:JDHHWYYMKYZFOI-UHFFFAOYSA-N

Product Name

(5-chloro-2-(trifluoromethoxy)phenyl)methanamine

(5-Chloro-2-(trifluoromethoxy)phenyl)methanamine Specification

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