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Benzenemethanamine,2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-hydroxy-

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Name

Benzenemethanamine,2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-hydroxy-

EINECS N/A
CAS No. 175136-75-1 Density 1.445 g/cm3
PSA 23.47000 LogP 4.66300
Solubility N/A Melting Point 169 °C
Formula C14H11Cl2F2NO Boiling Point 424.6 °C at 760 mmHg
Molecular Weight 318.15 Flash Point 210.6 °C
Transport Information N/A Appearance light yellow crystal powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 175136-75-1 (N,N-BIS(2-CHLORO-6-FLUOROBENZYL)HYDROXYLAMINE) Hazard Symbols IrritantXi
Synonyms

N-(2-chloro-6-fluorobenzyl)-1-(2-chloro-6-fluorophenyl)-N-hydroxymethanamine;Benzenemethanamine, 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-hydroxy-;N,N-di(2-chloro-6-fluorobenzyl)hydroxylamine;

 

Benzenemethanamine,2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-hydroxy- Specification

The Benzenemethanamine,2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-hydroxy-, with the CAS registry number 175136-75-1, has the systematic name of N-(2-chloro-6-fluorobenzyl)-1-(2-chloro-6-fluorophenyl)-N-hydroxymethanamine. It is a kind of white to light yellow crystal powder, and belongs to the product category of Amine. And the molecular formula of the chemical is C14H11Cl2F2NO.

The characteristics of Benzenemethanamine,2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-hydroxy- are as followings: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 74.55; (6)ACD/BCF (pH 7.4): 74.55; (7)ACD/KOC (pH 5.5): 761.89; (8)ACD/KOC (pH 7.4): 761.86; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 75.32 cm3; (15)Molar Volume: 220 cm3; (16)Polarizability: 29.86×10-24cm3; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.445 g/cm3; (19)Flash Point: 210.6 °C; (20)Enthalpy of Vaporization: 71.59 kJ/mol; (21)Boiling Point: 424.6 °C at 760 mmHg; (22)Vapour Pressure: 5.77E-08 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, 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: Clc1cccc(F)c1CN(O)Cc2c(F)cccc2Cl
(2)InChI: InChI=1/C14H11Cl2F2NO/c15-11-3-1-5-13(17)9(11)7-19(20)8-10-12(16)4-2-6-14(10)18/h1-6,20H,7-8H2
(3)InChIKey: MIUDTZXWNHEWKG-UHFFFAOYAJ

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