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| CAS No.: | 94-64-4 |
|---|---|
| Name: | N-(2-CHLOROBENZYL)-N-METHYLAMINE |
| Molecular Structure: | |
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|
|
| Formula: | C8H10ClN |
| Molecular Weight: | 155.627 |
| Synonyms: | 2-Chloro-N-methyl-benzenemethanamin; |
| EINECS: | 202-350-1 |
| Density: | 1.088 g/cm3 |
| Melting Point: | 0°C |
| Boiling Point: | 206.914 °C at 760 mmHg |
| Flash Point: | 78.939 °C |
| Appearance: | pale yellow oil. |
| Hazard Symbols: |
  Xi
|
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-36 |
| PSA: | 12.03000 |
| LogP: | 2.45030 |
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Specification
The 2-Chloro-N-methylbenzylamine, with the CAS registry number of 94-64-4, is also known as 2-Chloro-N-methyl-benzenemethanamin. It belongs to the product categories of Polyamines; Amines; C8; Nitrogen Compounds. Its EINECS registry number is 202-350-1. This chemical's molecular formula is C8H10ClN and molecular weight is 155.62. What's more, its IUPAC name is 1-(2-Chlorophenyl)-N-methylmethanamine. Besides, it must be stored in airtight containers and placed at room temperature.
Physical properties about the 2-Chloro-N-methylbenzylamine are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.694; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 10.545; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.03 Å2; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 44.292 cm3; (14)Molar Volume: 143.018 cm3; (15)Surface Tension: 34.935 dyne/cm; (16)Density: 1.088 g/cm3; (17)Flash Point: 78.939 °C; (18)Enthalpy of Vaporization: 44.316 kJ/mol; (19)Boiling Point: 206.914 °C at 760 mmHg; (20)Vapour Pressure: 0.232 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing. This chemical is harmful if swallowed.
You can still convert the following datas into molecular structure:
(1) SMILES:CNCc1ccccc1Cl
(2) InChI:InChI=1/C8H10ClN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
(3) InChIKey:DIWGZVQKFSFNLH-UHFFFAOYAD