3-Chloro-1-phenylpropanol supplier

Name
3-CHLORO-1-PHENYL-1-PROPANOL
EINECS 606-122-6
CAS No. 18776-12-0
Article Data63
CAS DataBase
Density 1.149 g/cm³
Solubility
Melting Point 31.0 to 36.0 °C
Formula C₉H₁₁ClO
Boiling Point 296.4 °C at 760 mmHg
Molecular Weight 170.639
Flash Point 132 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chloro-1-phenyl-1-propanol;Benzylalcohol, α-(2-chloroethyl)- (6CI,7CI,8CI);3-Chloro-1-phenylpropanol;α-(2-Chloroethyl)benzyl alcohol;
PSA 20.23000
LogP 2.34890

3-Chloro-1-phenylpropanol Specification

The Benzenemethanol, α-(2-chloroethyl)-, with the CAS registry number 18776-12-0, is also known as 3-Chloro-1-phenylpropanol. It belongs to the product category of Benzene Derivatives. This chemical's molecular formula is C₉H₁₁ClO and molecular weight is 170.636. What's more, its systematic name and its IUPAC name are the same which is called 3-Chloro-1-phenylpropan-1-ol.

Physical properties about Benzenemethanol, α-(2-chloroethyl)-: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.44; (6)ACD/BCF (pH 7.4): 27.44; (7)ACD/KOC (pH 5.5): 372.6; (8)ACD/KOC (pH 7.4): 372.6; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 46.82 cm³; (15)Molar Volume: 148.3 cm³; (16)Surface Tension: 41.8 dyne/cm; (17)Density: 1.149 g/cm³; (18)Flash Point: 132 °C; (19)Enthalpy of Vaporization: 56.62 kJ/mol; (20)Boiling Point: 296.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000651 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCC(O)c1ccccc1
(2)InChI: InChI=1/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
(3)InChIKey: JZFUHAGLMZWKTF-UHFFFAOYAP

Product Name

3-CHLORO-1-PHENYL-1-PROPANOL

3-Chloro-1-phenylpropanol Specification

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