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| CAS No.: | 871-67-0 |
|---|---|
| Name: | 1,6-Hexanediylbis(dithiocarbamic acid sodium) salt |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H14N2S4•2Na |
| Molecular Weight: | 312.456 |
| Synonyms: | N,N'-hexanediyl-bis-dithiocarbamic acid,disodium-salt;CARBAMIC ACID,HEXAMETHYLENEBIS(DITHIO-,DISODIUM SALT;N,N'-Hexandiyl-bis-dithiocarbamidsaeure,Dinatrium-Salz;Hexamethylenebis(dithiocarbamic acid) disodium salt;Carbamodithioic acid,N,N'-1,6-hexanediylbis-,sodium salt (1:2);Carbamodithioic acid,1,6-hexanediylbis-,disodium salt;disodium N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate; |
| Boiling Point: | 372.8°C at 760 mmHg |
| Flash Point: | 179.3°C |
| Safety: | Poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx. |
| PSA: | 102.32000 |
| LogP: | 2.21220 |
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Chemistry
Product Name: Hexamethylenebis(dithiocarbamic acid) disodium salt (CAS NO.871-67-0)
Molecular Formula: C8H14N2S4•2Na
Molecular Weight: 312.46g/mol
Mol File: 871-67-0.mol
Boiling point: 372.8 °C at 760 mmHg
Flash Point: 179.3 °C
Enthalpy of Vaporization: 62 kJ/mol
Vapour Pressure: 9.38E-06 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 2
Structure Descriptors of Hexamethylenebis(dithiocarbamic acid) disodium salt (CAS NO.871-67-0):
IUPAC Name: disodium N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate
Canonical SMILES: C(CCCNC(=S)[S-])CCNC(=S)[S-].[Na+].[Na+]
InChI: InChI=1S/C8H16N2S4.2Na/c11-7(12)9-5-3-1-2-4-6-10-8(13)14;;/h1-6H2,(H2,9,11,12)(H2,10,13,14);;/q;2*+1/p-2
InChIKey: YECKGFONHTVTNM-UHFFFAOYSA-L
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 300mg/kg (300mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 121, 1971. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.
Specification
Hexamethylenebis(dithiocarbamic acid) disodium salt , its CAS NO. is 871-67-0, the synonyms are Carbamic acid, hexamethylenebis(dithio-, disodium salt ; Carbamodithioic acid, 1,6-hexanediylbis-, disodium salt ; Carbamodithioic acid, N,N'-1,6-hexanediylbis-, sodium salt (1:2) .