Basic information
- Name:
Valeryl chloride
- CAS No.:
638-29-9
- Molecular Structure:
- Formula:
- C5H9ClO
- Molecular Weight:
- 120.5774
- Synonyms:
- Valerylchloride (6CI,7CI,8CI);Pentanoic acid chloride;n-Butanecarbonyl chloride;n-Pentanoyl chloride;Pentanoyl chloride;
- EINECS:
- 211-330-1
- Density:
- 1.008 g/cm3
- Melting Point:
- -110 °C
- Boiling Point:
- 128.4 °C at 760 mmHg
- Flash Point:
- 32.8 °C
- Solubility:
- decomposes in water
- Appearance:
- clear colorless to light yellow liquid
- Hazard Symbols:
C- Risk Codes:
- 10-20-35-34
- Safety Description:
- 26-36/37/39-45 Details
- Transport Information:
- UN 2502 8/PG 2
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Specification
The Valeryl chloride, with the CAS registry number 638-29-9 and EINECS registry number 211-330-1, has the systematic name of pentanoyl chloride. And the molecular formula of this chemical is C5H9ClO. It is a kind of clear colorless to light yellow liquid which is sensitive to moisture, and it belongs to the following product categories: Acid chlorides; Acid Halides; Carbonyl Compounds; Organic Building Blocks.
The physical properties of Valeryl chloride are as following: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.33; (6)ACD/BCF (pH 7.4): 21.33; (7)ACD/KOC (pH 5.5): 311.1; (8)ACD/KOC (pH 7.4): 311.1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 30.09 cm3; (15)Molar Volume: 119.5 cm3; (16)Polarizability: 11.92×10-24cm3; (17)Surface Tension: 27.8 dyne/cm; (18)Density: 1.008 g/cm3; (19)Flash Point: 32.8 °C; (20)Enthalpy of Vaporization: 36.62 kJ/mol; (21)Boiling Point: 128.4 °C at 760 mmHg; (22)Vapour Pressure: 10.6 mmHg at 25°C.
Preparation and uses of Valeryl chloride: It can be prepared by valeric acid and phosphorus trichloride. And it is usually used as acylating agent in organic synthesis. What's more, it is used as liquid crystal intermediate and medicine intermediate as well.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and harmful by inhalation. It may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)CCCC
(2)InChI: InChI=1/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
(3)InChIKey: XGISHOFUAFNYQF-UHFFFAOYAR