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| CAS No.: | 557-98-2 |
|---|---|
| Name: | 2-Chloropropene |
| Article Data: | 54 |
| Molecular Structure: | |
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|
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| Formula: | C3H5 Cl |
| Molecular Weight: | 76.5257 |
| Synonyms: | Propene,2-chloro- (8CI); 1-Methylvinyl chloride; 2-Chloro-1-propene; 2-Chloropropene;2-Chloropropylene; Isopropenyl chloride; b-Chloropropene; b-Chloropropylene |
| EINECS: | 209-187-5 |
| Density: | 0.907g/cm3 |
| Melting Point: | -138 °C |
| Boiling Point: | 23 °C |
| Flash Point: | °C |
| Solubility: | Not miscible or difficult to mix in water. |
| Appearance: | CLEAR COLOURLESS LIQUID |
| Hazard Symbols: | Toxic by ingestion and inhalation. Flammable, dangerous fire risk. |
| Risk Codes: | 12-36/37 |
| Safety: | Mildly toxic by inhalation. Mutation data reported. Very dangerous fire hazard when exposed to heat, flame, sparks, or powerful oxidizers. To fight fire, use water, spray, mist, fog, dry chemical, alcohol foam. When heated to decomposition it emits toxic fumes of Cl−. See also CHLORIDES. |
| PSA: | 0.00000 |
| LogP: | 1.75880 |
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Chemistry
Molecular Structure of 2-Chloro-1-propene (CAS NO.557-98-2):
IUPAC Name: 2-Chloroprop-1-ene
Empirical Formula: C3H5Cl
Molecular Weight: 76.5248
storage temp.: 2-8 °C
Melting Point: -138 °C
Index of Refraction: 1.398
Molar Refractivity: 20.36 cm3
Molar Volume: 84.3 cm3
Surface Tension: 18.5 dyne/cm
Density: 0.907 g/cm3
Flash Point: -20 °C
Enthalpy of Vaporization: 25.79 kJ/mol
Boiling Point: 22.6 °C at 760 mmHg
Vapour Pressure: 828 mmHg at 25 °C
Appearance: Clear colourless liquid
Classification Code: Mutation data
Canonical SMILES: CC(=C)Cl
InChI: InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3
InChIKey: PNLQPWWBHXMFCA-UHFFFAOYSA-N
Uses
2-Chloro-1-propene (CAS NO.557-98-2) is mainly used in organic synthesis.
Production
2-Chloro-1-propene (CAS NO.557-98-2) is prepared by catalytic hydrochlorination of methylacetylene or of propadiene in a liquid medium containing at least one catalyst chosen from compounds of the metals from group VIIIa and from the lanthanides, and at least one organic solvent capable of dissolving the catalyst.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 267gm/m3 (267000mg/m3) | BEHAVIORAL: GENERAL ANESTHETIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | University of California, Berkeley, Publications in Pharmacology. Vol. 2, Pg. 39, 1941. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of 2-Chloro-1-propene (CAS NO.557-98-2):
Hazard Codes: F+ 
,Xi 
Risk Statements: 12-36/37
R12:Extremely flammable
R36/37:Irritating to eyes and respiratory system
Safety Statements: 16-26-36
S16:Keep away from sources of ignition
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36:Wear suitable protective clothing
RIDADR: UN 2456 3/PG 1
WGK Germany: 3
RTECS: UC7200000
F: 10-23
HazardClass: 3
PackingGroup: I
Mildly toxic by inhalation. Mutation data reported. Very dangerous fire hazard when exposed to heat, flame, sparks, or powerful oxidizers. To fight fire, use water, spray, mist, fog, dry chemical, alcohol foam. When heated to decomposition it emits toxic fumes of Cl−.
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
2-Chloro-1-propene (CAS NO.557-98-2), its Synonyms are 1-Propene, 2-chloro- ; 2-Chloropropene ; 2-Chloropropylene ; Isopropenyl chloride ; Propene, 2-chloro- ; beta-Chloropropene ; beta-Chloropropylene . It is incompatible with strong oxidizing agents such as many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. When heated to decomposition, it yields Hydrogen chloride , Chlorine , Carbon monoxide , Carbon dioxide . It is highly flammable but insoluble in water.
2-Chloro-1-propene is moderately or very reactive. It generally decreases with increased degree of substitution of halogen for hydrogen atoms. Its low molecular weight haloalkanes are highly flammable and can react with some metals to form dangerous products.