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CAS No.: | 18776-12-0 |
---|---|
Name: | 3-CHLORO-1-PHENYL-1-PROPANOL |
Article Data: | 63 |
Molecular Structure: | |
Formula: | C9H11ClO |
Molecular Weight: | 170.639 |
Synonyms: | 3-Chloro-1-phenyl-1-propanol;Benzylalcohol, α-(2-chloroethyl)- (6CI,7CI,8CI);3-Chloro-1-phenylpropanol;α-(2-Chloroethyl)benzyl alcohol; |
EINECS: | 606-122-6 |
Density: | 1.149 g/cm3 |
Melting Point: | 31.0 to 36.0 °C |
Boiling Point: | 296.4 °C at 760 mmHg |
Flash Point: | 132 °C |
PSA: | 20.23000 |
LogP: | 2.34890 |
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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