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CAS No.: | 20133-93-1 |
---|---|
Name: | 1-chloro-3-(1-naphthyloxy)propan-2-ol |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C13H13ClO2 |
Molecular Weight: | 236.698 |
Synonyms: | 1-Chloro-3-(1-naphthyloxy)propan-2-ol; |
EINECS: | 243-538-3 |
Density: | 1.246 g/cm3 |
Boiling Point: | 413.1 °C at 760 mmHg |
Flash Point: | 203.6 °C |
PSA: | 29.46000 |
LogP: | 2.81830 |
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The 1-Chloro-3-naphthalen-1-yloxy-propan-2-ol, with the CAS registry number 20133-93-1, is also known as 1-Chloro-3-(1-naphthoxy)-2-propanol. Its EINECS registry number is 243-538-3. This chemical's molecular formula is C13H13ClO2 and molecular weight is 236.69412. What's more, both its IUPAC name and systematic name are the same which is called 1-Chloro-3-naphthalen-1-yloxypropan-2-ol.
Physical properties about 1-Chloro-3-naphthalen-1-yloxy-propan-2-ol are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 112.13; (6)ACD/BCF (pH 7.4): 112.13; (7)ACD/KOC (pH 5.5): 1020.44; (8)ACD/KOC (pH 7.4): 1020.44; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 66.38 cm3; (15)Molar Volume: 189.8 cm3; (16)Surface Tension: 48 dyne/cm; (17)Density: 1.246 g/cm3; (18)Flash Point: 203.6 °C; (19)Enthalpy of Vaporization: 70.2 kJ/mol; (20)Boiling Point: 413.1 °C at 760 mmHg; (21)Vapour Pressure: 1.46E-07 mmHg at 25 °C.
Preparation of 1-Chloro-3-naphthalen-1-yloxy-propan-2-ol: this chemical can be prepared by Chloromethyl-oxirane with Naphthalen-1-ol. This reaction needs reagents Pyridine, HCl at temperature of 0-5 °C.
Uses of 1-Chloro-3-naphthalen-1-yloxy-propan-2-ol: it is used to produce other chemicals. For example, it is used to produce 1-Chloro-3-(naphthalen-1-yloxy)-propan-2-one. The reaction occurs with reagents Oxalyl chloride, DMSO and solvent CH2Cl2 at temperature of -70 °C for 15 min. The yield is 92 %.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(O)COc2cccc1ccccc12
(2) InChI: InChI=1/C13H13ClO2/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,8-9H2
(3) InChIKey: ZVVJOJMCXYDDEW-UHFFFAOYAT