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| CAS No.: | 72235-55-3 |
|---|---|
| Name: | 3-Chloro-2-fluorobenzylamine |
| Molecular Structure: | |
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|
|
| Formula: | C7H7ClFN |
| Molecular Weight: | 159.591 |
| Synonyms: | 3-Chloro-2-fluorobenzylamine; |
| EINECS: | -0 |
| Density: | 1.27 g/cm3 |
| Boiling Point: | 219.6 °C at 760 mmHg |
| Flash Point: | 86.6 °C |
| Appearance: | colorless liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | 2735 |
| PSA: | 26.02000 |
| LogP: | 2.63810 |
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Specification
This chemical is called 3-Chloro-2-fluorobenzylamine, and it can also be named as 3-Chloro-2-fluorobenzylamine. With the molecular formula of C7H7ClFN, its molecular weight is 159.59. The CAS registry number of this chemical is 72235-55-3. In addition, this chemical should be stored sealed in the cool and dry plcace, away from oxide, acid and air.
Other characteristics of the 3-Chloro-2-fluorobenzylamine can be summarised as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 11.98; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 39.59 cm3; (15)Molar Volume: 125.5 cm3; (16)Polarizability: 15.69×10-24cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 86.6 °C; (20)Enthalpy of Vaporization: 45.6 kJ/mol; (21)Boiling Point: 219.6 °C at 760 mmHg; (22)Vapour Pressure: 0.119 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is corrosive, and it causes burns. Wear suitable protective clothing, gloves and eye/face protection if you use it. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(cccc1Cl)CN
2.InChI: InChI=1/C7H7ClFN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2
3.InChIKey: LYKWZKBLNOCJMA-UHFFFAOYAZ