Benzenemethanol, a-(chloromethyl)- supplier

Name
(+/-)-2-CHLORO-1-PHENYLETHANOL
EINECS 216-816-7
CAS No. 1674-30-2
Article Data144
CAS DataBase
Density 1.187 g/cm³
Solubility Not miscible or difficult to mix with water.
Melting Point
Formula C₈H₉ClO
Boiling Point 254.9 °C at 760 mmHg
Molecular Weight 156.612
Flash Point 114.2 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
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;
PSA 20.23000
LogP 1.95880

Benzenemethanol, a-(chloromethyl)- 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%.

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

Product Name

(+/-)-2-CHLORO-1-PHENYLETHANOL

Benzenemethanol, a-(chloromethyl)- Specification

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