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- Butanal, 2-oxo-
- Butanal, 4-chloro-
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Cas Database |
| Name |
Butanal, 4-chloro- |
EINECS | N/A |
| CAS No. | 6139-84-0 | Density | 1.031g/cm3 |
| PSA | 17.07000 | LogP | 1.20430 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C4H7ClO | Boiling Point | 158 °C at 760 mmHg |
| Molecular Weight | 106.552 | Flash Point | 51 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Butyraldehyde,4-chloro- (6CI,7CI,8CI);4-Chlorobutanal;4-Chlorobutyraldehyde;NSC 50473;g-Chlorobutyraldehyde; |
Article Data | 73 |
Butanal, 4-chloro- Specification
The Butanal, 4-chloro-, with CAS registry number 6139-84-0, has the systematic name of 4-chlorobutanal. Besides this, it is also called 4-Chloro-butyraldehyde. And the chemical formula of this chemical is C4H7ClO.
Physical properties of Butanal, 4-chloro-: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.41; (8)Molar Refractivity: 25.61 cm3; (9)Molar Volume: 103.2 cm3; (10)Polarizability: 10.15×10-24cm3; (11)Surface Tension: 28.5 dyne/cm; (12)Density: 1.031 g/cm3; (13)Flash Point: 51 °C; (14)Enthalpy of Vaporization: 39.46 kJ/mol; (15)Boiling Point: 158 °C at 760 mmHg; (16)Vapour Pressure: 2.68 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCC=O
(2)InChI: InChI=1/C4H7ClO/c5-3-1-2-4-6/h4H,1-3H2
(3)InChIKey: DOQLCJMCQWQQHK-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H7ClO/c5-3-1-2-4-6/h4H,1-3H2
(5)Std. InChIKey: DOQLCJMCQWQQHK-UHFFFAOYSA-N
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