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| CAS No.: | 202982-63-6 |
|---|---|
| Name: | 4-CHLORO-2-FLUOROBENZYLAMINE HYDROCHLORIDE |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8Cl2FN |
| Molecular Weight: | 196.052 |
| Synonyms: | 4-Chloro-2-Fluorobenzylaminehydrochloride; |
| Density: | 1.27g/cm3 |
| Melting Point: | 236-241 °C |
| Boiling Point: | 211.1 °C at 760 mmHg |
| Flash Point: | 81.5 °C |
| Solubility: | It is soluble in water. |
| Appearance: | Light yellow powder |
| Hazard Symbols: |
 Xn,  C
|
| Risk Codes: | 36/37/38-21/22 |
| Safety: | 36/37/39-26 |
| PSA: | 26.02000 |
| LogP: | 3.44010 |
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Specification
The Benzenemethanamine,4-chloro-2-fluoro-, hydrochloride (1:1), with the CAS registry number 202982-63-6, is also known as 4-Chloro-2-Fluorobenzylaminehydrochloride. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Anilines, Amides & Amines; Chlorine Compounds; Fluorine Compounds. This chemical's molecular formula is C7H8Cl2FN and molecular weight is 196.0495. What's more, its systematic name is called 1-(4-Chloro-2-fluorophenyl)methanamine hydrochloride.
Physical properties about Benzenemethanamine,4-chloro-2-fluoro-, hydrochloride (1:1) are: (1)ACD/LogP: 1.30; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): -0.03; (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): 5.74; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24Å2; (13)Flash Point: 81.5 °C; (14)Enthalpy of Vaporization: 44.74 kJ/mol; (15)Boiling Point: 211.1 °C at 760 mmHg; (16)Vapour Pressure: 0.186 mmHg at 25 °C; (17)Melting Point: 236-241 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful if in contact with skin or swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(F)c(cc1)CN.Cl
(2) InChI: InChI=1/C7H7ClFN.ClH/c8-6-2-1-5(4-10)7(9)3-6;/h1-3H,4,10H2;1H
(3) InChIKey: DFRJZBWKVAXYRV-UHFFFAOYAD