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