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| CAS No.: | 3737-00-6 |
|---|---|
| Name: | (E)-3-bromo-1-chloro-prop-1-ene |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C3H4 Br Cl |
| Molecular Weight: | 155.422 |
| Synonyms: | Propene,3-bromo-1-chloro- (6CI,7CI,8CI); 1-Chloro-3-bromo-1-propene;3-Bromo-1-chloro-1-propene; 3-Bromo-1-chloropropene-1; CBP; CBP 55 |
| Density: | 1.614g/cm3 |
| Boiling Point: | 141.9°Cat760mmHg |
| Flash Point: | 37.3°C |
| Hazard Symbols: | A poison by ingestion. Low toxicity by inhalation. Human systemic effects. |
| Safety: | A poison by ingestion. Low toxicity by inhalation. Human systemic effects. When heated to decomposition it emits toxic vapors of Br− and Cl−. |
| PSA: | 0.00000 |
| LogP: | 2.13380 |
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Chemistry
Molecule structure of 3-Bromo-1-chloropropene (CAS NO.3737-00-6) :
IUPAC Name: (E)-3-bromo-1-chloroprop-1-ene
Molecular Weight: 155.42086 g/mol
Molecular Formula: C3H4BrCl
Density: 1.614 g/cm3
Boiling Point: 141.9 °C at 760 mmHg
Flash Point: 37.3 °C
Index of Refraction: 1.505
Molar Refractivity: 28.58 cm3
Molar Volume: 96.2 cm3
Polarizability: 11.33*10-24 cm3
Surface Tension: 32.2 dyne/cm
Enthalpy of Vaporization: 36.34 kJ/mol
log P (octanol-water): 2.380
Water Solubility: 667 mg/L
Vapor Pressure: 18 mm Hg
Henry's Law Constant: 8.02E-03 atm-m3/mole
Atmospheric OH Rate Constant: 9.26E-12 cm3/molecule-sec
XLogP3-AA: 1.9
Rotatable Bond Count: 1
Exact Mass: 153.91849
MonoIsotopic Mass: 153.91849
Heavy Atom Count: 5
Complexity: 33.9
Canonical SMILES: C(C=CCl)Br
Isomeric SMILES: C(/C=C/Cl)Br
InChI: InChI=1S/C3H4BrCl/c4-2-1-3-5/h1,3H,2H2/b3-1+
InChIKey of 3-Bromo-1-chloropropene (CAS NO.3737-00-6) : AHUWMUAVZFJTOC-HNQUOIGGSA-N
Toxicity Data With Reference
| 1. | ihl-hmn TCLo:0.875 mg/m3/2M:PUL | VCVGH* Vrednie chemichescie veshestva, galogenproisvodnie uglevodorodov .(Hazardous substances: Galogenated hydrocarbons)Bandman A.L. et al.,Chimia.: 1990,663. | ||
| 2. | orl-mus LD50:100 mg/kg | VCVGH* Vrednie chemichescie veshestva, galogenproisvodnie uglevodorodov .(Hazardous substances: Galogenated hydrocarbons)Bandman A.L. et al.,Chimia.: 1990,663. | ||
| 3. | orl-rat LD50:78.8 mg/kg | VCVGH* Vrednie chemichescie veshestva, galogenproisvodnie uglevodorodov .(Hazardous substances: Galogenated hydrocarbons)Bandman A.L. et al.,Chimia.: 1990,663. | ||
| 4. | ihl-rbt LC50:2300 mg/m3/4H | VCVGH* Vrednie chemichescie veshestva, galogenproisvodnie uglevodorodov .(Hazardous substances: Galogenated hydrocarbons)Bandman A.L. et al.,Chimia.: 1990,663. |
Safety Profile
A poison by ingestion. Low toxicity by inhalation. Human systemic effects. When heated to decomposition it emits toxic vapors of Br− and Cl−.
Specification
3-Bromo-1-chloropropene (CAS NO.3737-00-6) is also called CBP ; 1-Propene, 3-bromo-1-chloro- .