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| CAS No.: | 6282-88-8 |
|---|---|
| Name: | 3-(4-Chlorophenyl)propan-1-ol |
| Article Data: | 35 |
| Molecular Structure: | |
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|
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| Formula: | C9H11ClO |
| Molecular Weight: | 170.639 |
| Synonyms: | 3-(4-Chlorophenyl)propanol 95%; |
| Density: | 1.151 g/cm3 |
| Boiling Point: | 270.7 °C at 760 mmHg |
| Flash Point: | 117.5 °C |
| Appearance: | Colorless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 20.23000 |
| LogP: | 2.26490 |
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Specification
The 3-(4-Chlorophenyl)propan-1-ol, with the CAS registry number of 6282-88-8, is also known as 3-(4-Chlorophenyl)propanol 95 %. It belongs to the product categories of Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. This chemical's molecular formula is C9H11ClO and molecular weight is 170.64. What's more, both its systematic name and IUPAC name are the same which is called 3-(4-Chlorophenyl)propan-1-ol.
Physical properties about are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.545; (8)Molar Refractivity: 46.86 cm3; (9)Molar Volume: 148.2 cm3; (10)Surface Tension: 41.5 dyne/cm; (11)Density: 1.151 g/cm3; (12)Flash Point: 117.5 °C; (13)Enthalpy of Vaporization: 53.76 kJ/mol; (14)Boiling Point: 270.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00331 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES:Clc1ccc(cc1)CCCO
(2) InChI:InChI=1/C9H11ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2
(3) InChIKey:ZHBIWFGGIKFSHZ-UHFFFAOYAQ