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| CAS No.: | 563-52-0 |
|---|---|
| Name: | 3-Chloro-1-butene |
| Article Data: | 61 |
| Molecular Structure: | |
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| Formula: | C4H7Cl |
| Molecular Weight: | 90.5526 |
| Synonyms: | (?à)-3-Chloro-1-butene;1-Methyl-1-chloro-2-propene;1-Methylallyl chloride;2-Chloro-3-butene;3-Chloro-1-butene;NSC 60192;dl-a-Methallyl chloride;a-Methallyl chloride;a-Methylallyl chloride;g-Chloro-a-butylene; |
| EINECS: | 209-252-8 |
| Density: | 0.9 g/cm3 |
| Melting Point: | -50 °C |
| Boiling Point: | 64.9 °C at 760 mmHg |
| Flash Point: | −4 °F |
| Solubility: | Immiscible with water |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 F, Xi, Xn
|
| Risk Codes: | 11-43-36/37/38-22 |
| Safety: | 16-36/37-37/39-26 |
| Transport Information: | UN 1993 3 |
| PSA: | 0.00000 |
| LogP: | 1.79970 |
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Specification
The 3-Chloro-1-butene, with the CAS registry number 563-52-0, is also known as gamma-Chloro-alpha-butylene. It belongs to the product categories of API Intermediates; Alkenyl; Halogenated Hydrocarbons; Organic Building Blocks. Its EINECS registry number is 209-252-8. This chemical's molecular formula is C4H7Cl and molecular weight is 90.55138. Its IUPAC name is called 3-chlorobut-1-ene. This chemical can be used in organic synthesis. What's more, the product should be sealed and stored in cool and dry place. This chemical's classification code is Mutation Data.
Physical properties of 3-Chloro-1-butene: (1)ACD/LogP: 1.99; (2)ACD/LogD (pH 5.5): 1.99; (3)ACD/LogD (pH 7.4): 1.99; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.409; (6)Molar Refractivity: 25.11 cm3; (7)Molar Volume: 101.4 cm3; (8)Surface Tension: 20.6 dyne/cm; (9)Density: 0.892 g/cm3; (10)Enthalpy of Vaporization: 29.42 kJ/mol; (11)Boiling Point: 64.9 °C at 760 mmHg; (12)Vapour Pressure: 174 mmHg at 25°C.
Uses of 3-Chloro-1-butene: it can be used to produce 4-but-2-enyl-2,6-dimethyl-phenol with 2,6-dimethyl-phenol by heating. This reaction will need reagent Na2CO3 and solvent CCl4 with reaction time of 24 hours. The yield is about 83%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C=C)Cl
(2)InChI: InChI=1S/C4H7Cl/c1-3-4(2)5/h3-4H,1H2,2H3
(3)InChIKey: VZGLVCFVUREVDP-UHFFFAOYSA-N