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| CAS No.: | 352-11-4 |
|---|---|
| Name: | alpha-Chloro-p-fluorotoluene |
| Article Data: | 31 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C7H6ClF |
| Molecular Weight: | 144.576 |
| Synonyms: | Toluene,a-chloro-p-fluoro- (6CI,7CI,8CI);1-(Chloromethyl)-4-fluorobenzene;4-Fluorophenylmethyl chloride;NSC 25084;p-Fluorobenzyl chloride;a-Chloro-4-fluorotoluene;a-Chloro-p-fluorotoluene; |
| EINECS: | 206-516-4 |
| Density: | 1.191 g/cm3 |
| Melting Point: | -18 °C |
| Boiling Point: | 181.6 °C at 760 mmHg |
| Flash Point: | 64 °C |
| Solubility: | 417mg/L(temperature not stated) |
| Appearance: | clear colorless to slightly yellow liquid |
| Hazard Symbols: |
 C
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| Risk Codes: | 22-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2920 8/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.56450 |
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Specification
The 4-Fluorobenzyl chloride with cas registry number of 352-11-4 is also known as alpha-Chloro-p-fluorotoluene. Both its systematic name and IUPAC name are the same which is called 1-(chloromethyl)-4-fluorobenzene. This chemical is clear colorless to slightly yellow liquid which is sensitive to lachrymatory. Its EINECS registry number is 206-516-4.
The physical properties about this chemical are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 50.04; (6)ACD/BCF (pH 7.4): 50.04; (7)ACD/KOC (pH 5.5): 572.8; (8)ACD/KOC (pH 7.4): 572.8; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 36.01 cm3; (14)Molar Volume: 121.3 cm3; (15)Surface Tension: 32.4 dyne/cm; (16)Density: 1.191 g/cm3; (17)Flash Point: 64 °C; (18)Enthalpy of Vaporization: 40.07 kJ/mol; (19)Boiling Point: 181.6 °C at 760 mmHg; (20)Vapour Pressure: 1.15 mmHg at 25°C ; (21)Refractive index: 1.512-1.514.
Preparation of 4-Fluorobenzyl chloride: it can be made by 4-fluoro-benzyl alcohol with reagent HCl. This reaction is Chlorination which occurs at temperature of 70 ℃. The reaction time is about 3.5 hours. And the yield is 72.7%.
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Uses of 4-Fluorobenzyl chloride: it can react with piperidine to give N-(4-Fluorbenzyl)-piperidin by using solvent toluene. The yield is 92%.
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When you are using this chemical, please be cautious about it as the following:
This chemcial is harmful if swallowed. And it can cause burns. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 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: ClCc1ccc(F)cc1;
(2)InChI: InChI=1/C7H6ClF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2;
(3)InChIKey: IZXWCDITFDNEBY-UHFFFAOYAJ