Benzaldehyde,5-chloro-2-(2-methylpropoxy)- supplier

Name
5-CHLORO-2-ISOBUTOXYBENZALDEHYDE
EINECS
CAS No. 27590-77-8
Article Data2
CAS DataBase
Density 1.137 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃ClO₂
Boiling Point 303.2 °C at 760 mmHg
Molecular Weight 212.676
Flash Point 122.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzaldehyde,5-chloro-2-isobutoxy- (8CI);5-Chloro-2-[(2-methylpropyl)oxy]benzaldehyde;5-Chloro-2-isobutoxybenzaldehyde;
PSA 26.30000
LogP 3.18730

Benzaldehyde,5-chloro-2-(2-methylpropoxy)- Specification

The Benzaldehyde,5-chloro-2-(2-methylpropoxy)-, with the CAS registry number 27590-77-8, is also known as 5-Chloro-2-isobutoxybenzaldehyde. This chemical's molecular formula is C₁₁H₁₃ClO₂ and molecular weight is 212.67272. What's more, both its IUPAC name and systematic name are the same which is called 5-Chloro-2-(2-methylpropoxy)benzaldehyde.

Physical properties aboutBenzaldehyde,5-chloro-2-(2-methylpropoxy)- are: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 481; (6)ACD/BCF (pH 7.4): 481; (7)ACD/KOC (pH 5.5): 2893.9; (8)ACD/KOC (pH 7.4): 2893.9; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 58.43 cm³; (15)Molar Volume: 186.9 cm³; (16)Polarizability: 23.16×10^-24cm³; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.137 g/cm³; (19)Flash Point: 122.7 °C; (20)Enthalpy of Vaporization: 54.35 kJ/mol; (21)Boiling Point: 303.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000943 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(OCC(C)C)cc1)C=O
(2)InChI: InChI=1/C11H13ClO2/c1-8(2)7-14-11-4-3-10(12)5-9(11)6-13/h3-6,8H,7H2,1-2H3
(3)InChIKey: NPNJQVRTLWNEAT-UHFFFAOYAT

Product Name

5-CHLORO-2-ISOBUTOXYBENZALDEHYDE

Benzaldehyde,5-chloro-2-(2-methylpropoxy)- Specification

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