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| CAS No.: | 1674-30-2 |
|---|---|
| Name: | (+/-)-2-CHLORO-1-PHENYLETHANOL |
| Article Data: | 144 |
| Molecular Structure: | |
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| Formula: | C8H9ClO |
| Molecular Weight: | 156.612 |
| Synonyms: | Benzylalcohol, a-(chloromethyl)- (6CI,7CI,8CI);(Chloromethyl)phenyl carbinol;(?à)-2-Chloro-1-phenylethanol;1-Phenyl-2-chloroethanol;2-Chloro-1-hydroxy-1-phenylethane;2-Chloro-1-phenylethanol;Styrenechlorohydrin;Styrene b-chlorohydrin;a-(Chloromethyl)benzenemethanol;a-(Chloromethyl)benzyl alcohol; |
| EINECS: | 216-816-7 |
| Density: | 1.187 g/cm3 |
| Boiling Point: | 254.9 °C at 760 mmHg |
| Flash Point: | 114.2 °C |
| Solubility: | Not miscible or difficult to mix with water. |
| Hazard Symbols: | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; |
| Risk Codes: | 20/21/22 |
| Safety: | 26-36/37/39 |
| PSA: | 20.23000 |
| LogP: | 1.95880 |
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Specification
The Benzenemethanol, a-(chloromethyl)-, with CAS registry number 1674-30-2, has the systematic name of 2-chloro-1-phenylethanol. Besides this, it is also called (+/-)-2-Chloro-1-phenylethanol. And the chemical formula of this chemical is C8H9ClO. What's more, its EINECS is 216-816-7.
Physical properties of Benzenemethanol, a-(chloromethyl)-: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.75; (6)ACD/BCF (pH 7.4): 7.75; (7)ACD/KOC (pH 5.5): 150.68; (8)ACD/KOC (pH 7.4): 150.68; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 42.18 cm3; (15)Molar Volume: 131.8 cm3; (16)Polarizability: 16.72×10-24cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.187 g/cm3; (19)Flash Point: 114.2 °C; (20)Enthalpy of Vaporization: 52.02 kJ/mol; (21)Boiling Point: 254.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00869 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-chloro-1-phenyl-ethanone. This reaction will need reagents NaBH4, Me3SiCl and solvent tetrahydrofuran. The yield is about 98%.
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When you are using this chemical, please be cautious about it as the following:
The Benzenemethanol, a-(chloromethyl)- is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(O)c1ccccc1
(2)InChI: InChI=1/C8H9ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2
(3)InChIKey: XWCQSILTDPAWDP-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H9ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2
(5)Std. InChIKey: XWCQSILTDPAWDP-UHFFFAOYSA-N