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| CAS No.: | 513-37-1 |
|---|---|
| Name: | 1-CHLORO-2-METHYL-1-PROPENE |
| Article Data: | 35 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H7 Cl |
| Molecular Weight: | 90.5526 |
| Synonyms: | Propene,1-chloro-2-methyl- (6CI,7CI,8CI); 1-Chloro-2-methyl-1-propene;1-Chloro-2-methylpropene; 2,2-Dimethylvinyl chloride; 2-Methyl-1-chloropropene;2-Methyl-1-propenyl chloride; Dimethylvinyl chloride; Isocrotyl chloride; a-Chloroisobutylene; b,b-Dimethylvinyl chloride |
| Density: | 0.911g/cm3 |
| Melting Point: | -96°C (estimate) |
| Boiling Point: | 68.1°Cat760mmHg |
| Flash Point: | °C |
| Hazard Symbols: | F,T |
| Risk Codes: | 45-11-23/24/25-36/37/38 |
| Safety: | Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. Moderately toxic by ingestion. Mildly toxic by inhalation. A local irritant and narcotic in high concentration. When heated to decomposition it emits toxic fumes of Cl−. |
| PSA: | 0.00000 |
| LogP: | 2.14890 |
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Chemistry
Empirical Formula of 1-Chloro-2-methylpropene (CAS NO.513-37-1): C4H7Cl
Molecular Weight: 90.5514 g/mol
EINECS: 208-158-4
Index of Refraction: 1.423
Density: 0.911 g/cm3
Enthalpy of Vaporization: 29.7 kJ/mol
Boiling Point: 68.1 °C at 760 mmHg
Vapour Pressure: 154 mmHg at 25 °C
Appearance: Clear dark yellow to pale orange liquid
Structure of 1-Chloro-2-methylpropene (CAS NO.513-37-1):
IUPAC Name: 1-Chloro-2-methylprop-1-ene
Canonical SMILES: CC(=CCl)C
InChI: InChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3
InChIKey: KWISWUFGPUHDRY-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | trn-oin-dmg 12,750 ppm/3D C | NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-316 ,1986. | ||
| 2. | msc-mus:lyms 400 µg/L | NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-316 ,1986. | ||
| 3. | sce-ham:ovr 500 mg/L | NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-316 ,1986. | ||
| 4. | orl-mus TD:102 g/kg/2Y-I:NEO | NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-316 ,1986. | ||
| 5. | orl-rat LD50:4465 mg/kg | NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-316 ,1986. | ||
| 6. | ihl-rat LC50:400 mg/m3/4H | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,112. | ||
| 7. | orl-mus LD50:3160 mg/kg | NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-316 ,1986. | ||
| 8. | ihl-mus LCLo:181 g/m3/10M | UCPHAQ University of California, Publications in Pharmacology. 1 (1938),119. |
Consensus Reports
NTP 10th Report on Carcinogens. NTP Carcinogenesis Studies (gavage); Clear Evidence: mouse, rat NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-316 ,1986. .
Safety Profile
Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. Moderately toxic by ingestion. Mildly toxic by inhalation. A local irritant and narcotic in high concentration. When heated to decomposition it emits toxic fumes of Cl−.
Hazard Codes of 1-Chloro-2-methylpropene (CAS NO.513-37-1): 
F,
T
Risk Statements: 45-11-23/24/25-36/37/38
R11:Highly flammable.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R45:May cause cancer.
Safety Statements: 53-16-27-36/37/39-45
S16:Keep away from sources of ignition.
S27:Take off immediately all contaminated clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S53:Avoid exposure - obtain special instructions before use.
Specification
1-Chloro-2-methylpropene , its cas register number is 513-37-1. It also can be called DMVC ; 1-Chloro-2-methyl-1-propene ; and Isocrotyl chloride . It is incompatible with strong oxidizing agents and strong bases.