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CAS No.: | 18995-35-2 |
---|---|
Name: | 1-tert-Butoxy-4-chlorobenzene |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C10H13ClO |
Molecular Weight: | 184.666 |
Synonyms: | Ether,tert-butyl p-chlorophenyl (7CI,8CI);1-tert-Butoxy-4-chlorobenzene;4-tert-Butoxychlorobenzene;p-tert-Butoxychlorobenzene;p-tert-Butoxyphenylchloride; |
Density: | 1.055 g/cm3 |
Melting Point: | 45.5-46.5°C |
Boiling Point: | 230.9 °C at 760 mmHg |
Flash Point: | 98.4 °C |
Appearance: | Colorless transparent liquid |
Hazard Symbols: | Xi,N,Xn,F |
Risk Codes: | R43; R50/53; R36; R20/21/22; R11 |
PSA: | 9.23000 |
LogP: | 3.51730 |
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The 1-tert-Butoxy-4-chlorobenzene with the CAS number 18995-35-2 is also called Benzene,1-chloro-4-(1,1-dimethylethoxy)-. The IUPAC name is 1-chloro-4-[(2-methylpropan-2-yl)oxy]benzene. Its molecular formula is C10H13ClO. This chemical is colorless transparent liquid.
The properties of the chemical are: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)ACD/BCF (pH 5.5): 702.54; (6)ACD/BCF (pH 7.4): 702.54; (7)ACD/KOC (pH 5.5): 3795.31; (8)ACD/KOC (pH 7.4): 3795.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 51.69 cm3; (15)Molar Volume: 174.9 cm3; (16)Polarizability: 20.49×10-24cm3; (17)Surface Tension: 31.4 dyne/cm; (18)Enthalpy of Vaporization: 44.85 kJ/mol; (19)Vapour Pressure: 0.0974 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(OC(C)(C)C)cc1
(2)InChI: InChI=1/C10H13ClO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3
(3)InChIKey: NEJWTQIEQDHWTR-UHFFFAOYAY