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3-Chloro-1-butene

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Name

3-Chloro-1-butene

EINECS 209-252-8
CAS No. 563-52-0 Density 0.9 g/cm3
PSA 0.00000 LogP 1.79970
Solubility Immiscible with water Melting Point -50 °C
Formula C4H7Cl Boiling Point 64.9 °C at 760 mmHg
Molecular Weight 90.5526 Flash Point −4 °F
Transport Information UN 1993 3 Appearance clear colorless liquid
Safety 16-36/37-37/39-26 Risk Codes 11-43-36/37/38-22
Molecular Structure Molecular Structure of 563-52-0 (3-Chloro-1-butene) Hazard Symbols FlammableF,IrritantXi,HarmfulXn
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;

Article Data 61

3-Chloro-1-butene 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%.

3-Chloro-1-butene can be used to produce 4-but-2-enyl-2,6-dimethyl-phenol with 2,6-dimethyl-phenol

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

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