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| Name |
Pentachlorobutane |
EINECS | N/A |
| CAS No. | 31391-27-2 | Density | 1.509g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C4H5 Cl5 | Boiling Point | 230°C at 760 mmHg |
| Molecular Weight | 230.34 | Flash Point | 101.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−. See also CHLORINATED HYDROCARBONS, ALIPHATIC. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Pentachlorobutane Chemical Properties
Product Name: Pentachlorobutane (CAS NO.31391-27-2)
Molecular Formula: C4H5Cl5
Molecular Weight: 230.34g/mol
Mol File: 31391-27-2.mol
Boiling point: 230 °C at 760 mmHg
Flash Point: 101.7 °C
Density: 1.509 g/cm3
Surface Tension: 36.7 dyne/cm
Enthalpy of Vaporization: 44.77 kJ/mol
Vapour Pressure: 0.102 mmHg at 25°C
XLogP3-AA: 3.5
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of Pentachlorobutane (CAS NO.31391-27-2):
IUPAC Name: 1,1,2,3,4-pentachlorobutane
Canonical SMILES: C(C(C(C(Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C4H5Cl5/c5-1-2(6)3(7)4(8)9/h2-4H,1H2
InChIKey: AGCPZMJBXSCWQY-UHFFFAOYSA-N
Pentachlorobutane Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 1400mg/kg (1400mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 28(2), Pg. 9, 1963. | |
| mouse | LD50 | oral | 2500mg/kg (2500mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 28(2), Pg. 9, 1963. |
Pentachlorobutane Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−. See also CHLORINATED HYDROCARBONS, ALIPHATIC.
Pentachlorobutane Specification
Pentachlorobutane , its CAS NO. is 31391-27-2, the synonyms are PCB1 ; Butane, pentachloro- .
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