5-Chloropentanal supplier | CasNO.20074-80-0

Name
5-chloropentanal
EINECS
CAS No. 20074-80-0
Article Data34
CAS DataBase
Density 1.006g/cm³
Solubility
Melting Point
Formula C₅H₉ClO
Boiling Point 172 °C at 760 mmHg
Molecular Weight 120.579
Flash Point 66.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chlorovaleraldehyde;Valeraldehyde,5-chloro- (7CI,8CI);5-Chloropentanal;
PSA 17.07000
LogP 1.59440

5-Chloropentanal Specification

The Pentanal, 5-chloro-, with CAS registry number 20074-80-0, has the systematic name of 5-chloropentanal. Besides this, it is also called 5-Chloro-pentanal. And the chemical formula of this chemical is C₅H₉ClO.

Physical properties of Pentanal, 5-chloro-: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.32; (6)ACD/BCF (pH 7.4): 5.32; (7)ACD/KOC (pH 5.5): 115.09; (8)ACD/KOC (pH 7.4): 115.09; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 30.24 cm³; (15)Molar Volume: 119.7 cm³; (16)Polarizability: 11.99×10^-24cm³; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 1.006 g/cm³; (19)Flash Point: 66.8 °C; (20)Enthalpy of Vaporization: 40.84 kJ/mol; (21)Boiling Point: 172 °C at 760 mmHg; (22)Vapour Pressure: 1.36 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCC=O
(2)InChI: InChI=1/C5H9ClO/c6-4-2-1-3-5-7/h5H,1-4H2
(3)InChIKey: ZNLHWEDEIKEQDK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C5H9ClO/c6-4-2-1-3-5-7/h5H,1-4H2
(5)Std. InChIKey: ZNLHWEDEIKEQDK-UHFFFAOYSA-N

Product Name

5-chloropentanal

5-Chloropentanal Specification

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