Product Name

  • Name

    3,3'-THIODIPROPIONITRILE

  • EINECS
  • CAS No. 111-97-7
  • Article Data34
  • CAS DataBase
  • Density 1.092g/cm3
  • Solubility
  • Melting Point 24-25 °C(lit.)
  • Formula C6H8 N2 S
  • Boiling Point 191-194 °C7 mm Hg(lit.)
  • Molecular Weight 140.209
  • Flash Point 159.6°C
  • Transport Information
  • Appearance clear colorless to slightly yellow liquid
  • Safety Poison by intraperitoneal route. Moderately toxic by ingestion. A skin and eye irritant. When heated to decomposition it emits very toxic fumes of NOx, SOx, and CN−. See also NITRILES.
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 111-97-7 (3,3'-THIODIPROPIONITRILE)
  • Hazard Symbols
  • Synonyms Propionitrile,3,3'-thiodi- (6CI,7CI,8CI); 2-Cyanoethyl sulfide; 3,3'-Thiodipropionitrile;4-Thia-1,7-heptanedinitrile; Bis(2-cyanoethyl) sulfide; Di(2-cyanoethyl)sulfide; NSC 2040; NSC 39638; NSC 46434; Thiodipropionitrile; b,b'-Dicyanodiethyl sulfide; b,b'-Thiodipropionitrile
  • PSA 72.88000
  • LogP 1.54696

Bis(2-cyanoethyl) sulfide Chemical Properties

Product Name: Bis(2-cyanoethyl) sulfide (CAS NO.111-97-7)


Molecular Formula: C6H8N2S
Molecular Weight: 140.21g/mol
Mol File: 111-97-7.mol
Appearance: Clear colorless to slightly yellow liquid
Melting Point: 24-25 °C(lit.)
Boiling point: 340.3 °C at 760 mmHg
Flash Point: 159.6 °C
Density: 1.11 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.499(lit.)
Surface Tension: 48.2 dyne/cm
Enthalpy of Vaporization: 58.38 kJ/mol
Vapour Pressure: 8.7E-05 mmHg at 25°C
XLogP3-AA: 0.3
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Bis(2-cyanoethyl) sulfide (CAS NO.111-97-7):
  IUPAC Name: 3-(2-cyanoethylsulfanyl)propanenitrile
  Canonical SMILES: C(CSCCC#N)C#N
  InChI: InChI=1S/C6H8N2S/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2 
  InChIKey: NDVLTZFQVDXFAN-UHFFFAOYSA-N
Product Categories: Dinitriles; Dinitriles & Trinitriles; C6 to C7; Cyanides/Nitriles; Nitrogen Compounds

Bis(2-cyanoethyl) sulfide Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,172.
2.    

eye-rbt 500 mg

     AJOPAA    American Journal of Ophthalmology. 29 (1946),1363.
3.    

eye-rbt 500 mg/24H MOD

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,172.
4.    

orl-cat LD50:4210 mg/kg

     JIHTAB    Journal of Industrial Hygiene and Toxicology. 31 (1949),60.
5.    

ipr-mus LD50:300 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .
6.    

orl-rat LD50:4500 mg/kg

     JIHTAB    Journal of Industrial Hygiene and Toxicology. 31 (1949),60.

Bis(2-cyanoethyl) sulfide Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.

Bis(2-cyanoethyl) sulfide Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. A skin and eye irritant. When heated to decomposition it emits very toxic fumes of NOx, SOx, and CN−. See also NITRILES.
Safety Information of Bis(2-cyanoethyl) sulfide (CAS NO.111-97-7):
Hazard Codes: Xi
Risk Statements: 36/37/38
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin 
Safety Statements: 26-36
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing  

Bis(2-cyanoethyl) sulfide Specification

 Bis(2-cyanoethyl) sulfide ,its CAS NO. is 111-97-7,the synonyms is 2,2'-Thiodiethylkyanid ; 2-Cyanoethyl sulfide ; 3,3'-Thiodipropionitrile ; 4-03-00-00749 (Beilstein Handbook Reference) ; AI3-16840 ; BRN 1701139 ; Di(2-cyanoethyl)sulfide ; Dicyanoethyl sulfide ; EINECS 203-926-5 ; NSC 2040 ; Nitril kyseliny beta,beta'-thiodipropionove ; Sulfide, bis(2-cyanoethyl) ; USAF HA-5 ; beta,beta'-Dicyanodiethyl sulfide ; beta,beta'-Thiodipropionitrile ; Propanenitrile, 3,3'-thiobis- ; Propionitrile, 3,3'-thiodi- .

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