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Basic Information
CAS No.: 1001-58-7
Name: 3-mercaptopropiononitrile
Article Data: 29
Molecular Structure:
Molecular Structure of 1001-58-7 (3-mercaptopropiononitrile)
Formula: C3H5 N S
Molecular Weight: 87.1454
Synonyms: Propionitrile,3-mercapto- (6CI,7CI,8CI); 1-Cyano-2-mercaptoethane; 2-Cyanoethyl mercaptan;3-Mercaptopropionitrile; b-Mercaptopropionitrile
EINECS: 213-682-1
Density: 1.019 g/cm3
Boiling Point: 203.9 °C at 760 mmHg
Flash Point: 77.1 °C
Safety: Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of SOx and NOx.
PSA: 62.59000
LogP: 0.82988
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  • 3-mercaptopropiononitrile

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    1001-58-7

    3-mercaptopropiononitrile

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  • 3-mercaptopropiononitrile

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    3-mercaptopropiononitrile

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  • 3-Mercaptopropanenitrile

  • Casno:

    1001-58-7

    3-Mercaptopropanenitrile

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  • 1-Cyano-2-mercaptoethane

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    1001-58-7

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Chemistry

IUPAC Name: 3-Sulfanylpropanenitrile 
Molecular Formula: C3H5NS
Molecular Weight: 87.1435
EINECS: 213-682-1
Density: 1.019 g/cm3
Boiling Point: 203.9 °C at 760 mmHg
Flash Point: 77.1 °C
Freely Rotating Bonds: 2
Polar Surface Area: 49.09 Å2
Index of Refraction: 1.467
Molar Refractivity: 23.75 cm3
Molar Volume: 85.4 cm3
Polarizability: 9.41× 10-24 cm3
Surface Tension: 37.5 dyne/cm
Enthalpy of Vaporization: 44.02 kJ/mol 
Vapour Pressure: 0.27 mmHg at 25°C
The Cas Register Number  of β-Cyanoethylmercaptan is 1001-58-7.The chemical synonyms of β-Cyanoethylmercaptan (CAS NO.1001-58-7) are 3-Mercaptopropiononitrile ; 2-Cyanoethanethiol ; 3-Mercaptopropanenitrile .The molecular structure of β-Cyanoethylmercaptan (CAS NO.1001-58-7) is.

Uses

  β-Cyanoethylmercaptan (CAS NO.1001-58-7) is used as organic intermediate.

Toxicity Data With Reference

1.    

ipr-mus LD50:100 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 .

Consensus Reports

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

Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of SOx and NOx.