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| CAS No.: | 731827-07-9 |
|---|---|
| Name: | (2,3-Dichlorobenzyl)methylamine |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H9Cl2N |
| Molecular Weight: | 190.072 |
| Synonyms: | (2,3-DICHLOROBENZYL)METHYLAMINE;(2,3-dichlorophenyl)-N-methylmethanamine;N-(2,3-Dichlorobenzyl)-N-methylamine |
| Density: | 1.226 g/cm3 |
| Boiling Point: | 242.8 °C at 760 mmHg |
| Flash Point: | 100.7 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 37/38-41-51 |
| Safety: | 26-39 |
| PSA: | 12.03000 |
| LogP: | 3.10370 |
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Specification
The (2,3-Dichlorobenzyl)methylamine is an organic compound with the formula C8H9Cl2N. The systematic name of this chemical is 1-(2,3-dichlorophenyl)-N-methylmethanamine. With the CAS registry number 731827-07-9, it is also named as benzenemethanamine, 2,3-dichloro-N-methyl-. In addition, the molecular weight is 190.07.
The other characteristics of (2,3-Dichlorobenzyl)methylamine can be summarized as: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.43; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 38.43; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 49.18 cm3; (15)Molar Volume: 154.9 cm3; (16)Polarizability: 19.49×10-24 cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.226 g/cm3; (19)Flash Point: 100.7 °C; (20)Enthalpy of Vaporization: 47.98 kJ/mol; (21)Boiling Point: 242.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0332 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Clc1c(cccc1Cl)CNC
2. InChI:InChI=1/C8H9Cl2N/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3
3. InChIKey:GPHWXLUNCPECQB-UHFFFAOYAG
4. Std. InChI:InChI=1S/C8H9Cl2N/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3
5. Std. InChIKey:GPHWXLUNCPECQB-UHFFFAOYSA-N