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3129-90-6

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Basic Information
CAS No.: 3129-90-6
Name: isothiocyanic acid
Article Data: 5
Molecular Structure:
Molecular Structure of 3129-90-6 (isothiocyanic acid)
Formula: CH N S
Molecular Weight: 59.0916
Synonyms: Hydrogenisothiocyanate
Density: 1.12g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: An unstable substance forbidden for transport. When heated to decomposition it emits toxic vapors of SOx and CN−.
PSA: 55.94000
LogP: 0.76770
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  • isothiocyanic acid

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    isothiocyanic acid

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Chemistry

Empirical Formula of Isothiocyanic acid (CAS NO.3129-90-6): CHNS
Molecular Weight: 59.0903 g/mol
Index of Refraction: 1.533
Density: 1.12 g/cm3
Structure of Isothiocyanic acid (CAS NO.3129-90-6):
                             
IUPAC Name: Isothiocyanic acid
Canonical SMILES: C(=N)=S
InChI: InChI=1S/CHNS/c2-1-3/h2H
InChIKey: GRHBQAYDJPGGLF-UHFFFAOYSA-N

Safety Profile

An unstable substance forbidden for transport. When heated to decomposition Isothiocyanic acid (CAS NO.3129-90-6) emits toxic vapors of SOx and CN−.

Standards and Recommendations

DOT Classification:  Forbidden

Specification

 Isothiocyanic acid , its cas register number is 3129-90-6. It also can be called Hydrogen isothiocyanate ; and Isothiocyansaeure .