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| CAS No.: | 5238-27-7 |
|---|---|
| Name: | 2-METHYLVALERYL CHLORIDE |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C6H11ClO |
| Molecular Weight: | 134.606 |
| Synonyms: | Valerylchloride, 2-methyl- (7CI,8CI);2-Methylpentanoyl chloride; |
| EINECS: | 226-035-3 |
| Density: | 0.986 g/cm3 |
| Boiling Point: | 140.4 °C at 760 mmHg |
| Flash Point: | 41.1 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-27-36/37/39-45 |
| PSA: | 17.07000 |
| LogP: | 2.18800 |
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- Total:26 Page 1 of 1 1
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Specification
The Pentanoyl chloride,2-methyl-, with the CAS registry number 5238-27-7, is also known as 2-Methylpentanoyl chloride. Its EINECS number is 226-035-3. It belongs to the product categories of Acid Halides; Carbonyl Compounds; Organic Building Blocks. This chemical's molecular formula is C6H11ClO and molecular weight is 134.60. What's more, its systematic name is 2-Methylvaleroyl chloride. It is stable at room temperature and pressure, and It should be sealed and stored in a cool and dry place and be protected from light.
Physical properties of Pentanoyl chloride,2-methyl- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 39.17; (6)ACD/BCF (pH 7.4): 39.17; (7)ACD/KOC (pH 5.5): 480.71; (8)ACD/KOC (pH 7.4): 480.71; (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: 1.422; (14)Molar Refractivity: 34.68 cm3; (15)Molar Volume: 136.4 cm3; (16)Polarizability: 13.74×10-24 cm3; (17)Surface Tension: 27.2 dyne/cm; (18)Density: 0.986 g/cm3; (19)Flash Point: 41.1 °C; (20)Enthalpy of Vaporization: 37.76 kJ/mol; (21)Boiling Point: 140.4 °C at 760 mmHg; (22)Vapour Pressure: 6.15 mmHg at 25 °C.
Uses of Pentanoyl chloride,2-methyl-: it can be used to produce 6-(1,1-Dimethylethyl)-2,3-dihydro-3,3-dimethyl-2-(2-methylpentanoyl)-1,2,4-triazolo[4,3-b]pyridazine by heating. It will need solvent Benzene with the reaction time of 13 hours. The yield is about 56%.
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When you are using this chemical, please be cautious about it as the following:
It causes burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. Take off immediately all contaminated clothing. 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)C(C)CCC
(2)InChI: InChI=1/C6H11ClO/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3
(3)InChIKey: MFIQXAVMTLKUJR-UHFFFAOYAO