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Cas Database |
| Name |
Propane diisothiourea dihydrobromide |
EINECS | 226-635-5 |
| CAS No. | 5442-32-0 | Density | g/cm3 |
| PSA | 150.34000 | LogP | 3.18800 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H12 N4 S2 . 2 Br H | Boiling Point | 343.8°Cat760mmHg |
| Molecular Weight | 354.133 | Flash Point | 161.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of HBr, SOx, and NOx. | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
Pseudourea,2,2'-trimethylenebis[2-thio-, dihydrobromide (7CI,8CI);Carbamimidothioicacid, 1,3-propanediyl ester, dihydrobromide (9CI); |
Article Data | 10 |
Propane diisothiourea dihydrobromide Chemical Properties
IUPAC Name: 3-carbamimidoylsulfanylpropyl carbamimidothioate dihydrobromide
Empirical Formula: C5H14Br2N4S2
Molecular Weight: 354.1295g/mol
H-Bond Donor: 4
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Exact Mass: 353.900616
MonoIsotopic Mass: 351.902663
Topological Polar Surface Area: 99.7
Heavy Atom Count: 13
Formal Charge: 0
Complexity 131
Flash Point: 161.7 °C
Enthalpy of Vaporization: 58.77 kJ/mol
Boiling Point: 343.8 °C at 760 mmHg
Vapour Pressure: 6.86E-05 mmHg at 25°C
Canonical SMILES: C(CSC(=N)N)CSC(=N)N.Br.Br
InChI: InChI=1S/C5H12N4S2.2BrH/c6-4(7)10-2-1-3-11-5(8)9;;/h1-3H2,(H3,6,7)(H3,8,9);2*1H
InChIKey: VKQIPFNBHQJEQV-UHFFFAOYSA-N
Structure of Propane diisothiourea dihydrobromide (CAS NO.5442-32-0):
.bmp)
Propane diisothiourea dihydrobromide Toxicity Data With Reference
| 1. | ipr-mus LD50:250 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 . |
Propane diisothiourea dihydrobromide Consensus Reports
Reported in EPA TSCA Inventory.
Propane diisothiourea dihydrobromide Safety Profile
Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of HBr, SOx, and NOx.
Propane diisothiourea dihydrobromide Specification
Propane diisothiourea dihydrobromide , its cas register number is 5442-32-0. It also can be called 2,2'-Trimethylenebis(2-thiopseudourea) dihydrobromide ; AI3-62287 ; EINECS 226-635-5 ; NSC 12755 Pseudourea, 2,2'-trimethylenebis(2-thio-, dihydrobromide ; Pseudourea, 2,2'-trimethylenedithiodi-, dihydrobromide ; Pseudourea, propanebis(2'-thio-, dihydrobromide . When heated to decomposition it emits very toxic fumes of HBr, SOx, and NOx. Wear suitable protective clothing and gloves when contact with Propane diisothiourea dihydrobromide (CAS NO.5442-32-0).
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