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541-33-3

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Basic Information
CAS No.: 541-33-3
Name: 1,1-DICHLOROBUTANE
Article Data: 30
Molecular Structure:
Molecular Structure of 541-33-3 (1,1-DICHLOROBUTANE)
Formula: C4H8 Cl2
Molecular Weight: 127.014
Synonyms: 1,1-Dichlorobutane;Butylidene chloride
EINECS: 208-775-9
Density: 0.83g/cm3
Melting Point: -70.34°C (estimate)
Boiling Point: 114.8°Cat760mmHg
Flash Point: 18.3°C
Safety: Slightly toxic by ingestion. When heated to decomposition it emits toxic vapors of Cl−.
PSA: 0.00000
LogP: 2.59020
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Chemistry

Molecular Formula: C4H8Cl2
Molar mass: 127.0123 g/mol
EINECS: 208-775-9
Density: 1.079 g/cm3
Flash Point: 22.5 °C
Index of Refraction: 1.427
Boiling Point: 114.3 °C at 760 mmHg
Vapour Pressure: 23.7 mmHg at 25°C
Storage Features: Packaging integrity, lightly armed light unloading; warehouse ventilation, away from open flame, heat, and oxidizing agents kept separate
Product categories of Butylidene chloride (541-33-3): Organics;Flammable liquids
Structure of Butylidene chloride (541-33-3):
       
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 0
Systematic Name: 1,1-Dichlorobutane 
SMILES: CCCC(Cl)Cl 
InChI: InChI=1/C4H8Cl2/c1-2-3-4(5)6/h4H,2-3H2,1H3 
InChIKey: SEQRDAAUNCRFIT-UHFFFAOYAZ 
Std. InChI: InChI=1S/C4H8Cl2/c1-2-3-4(5)6/h4H,2-3H2,1H3 
Std. InChIKey: SEQRDAAUNCRFIT-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:4859 mg/kg

     JPPMAB    Journal of Pharmacy and Pharmacology. 3 (1951),169.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Slightly toxic by ingestion. When heated to decomposition it emits toxic vapors of Cl−.

Specification

 Butylidene chloride (541-33-3) also can be called Butane, 1,1-dichloro- ; 1,1-Dichlorobutane ; Dichlorobutane and Butane, dichloro- .When with case of fire, high temperature, strong oxidant, it is combustible; high-temperature will make it to be decompounted to toxic chlorine gas.