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Isothiocyanic acid, also known as mustard oil or mustard gas, is a highly reactive and pungent organic compound with the chemical formula H-N=C=S. It is the simplest member of the isothiocyanic acid family and is derived from the reaction of amines with carbon disulfide. This colorless, volatile, and lachrymatory liquid is known for its strong, irritating odor, which is reminiscent of mustard plants. Isothiocyanic acid is used in various applications, including the synthesis of pharmaceuticals, agrochemicals, and as a chemical warfare agent. Due to its toxicity and potential health risks, it is essential to handle isothiocyanic acid with extreme caution and proper safety measures.

3129-90-6

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3129-90-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 3129-90-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,1,2 and 9 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 3129-90:
(6*3)+(5*1)+(4*2)+(3*9)+(2*9)+(1*0)=76
76 % 10 = 6
So 3129-90-6 is a valid CAS Registry Number.
InChI:InChI=1/CHNS/c2-1-3/h2H

3129-90-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name isothiocyanic acid

1.2 Other means of identification

Product number -
Other names Hydrogenisothiocyanate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:3129-90-6 SDS

3129-90-6Relevant academic research and scientific papers

SYNTHESIS AND FLASH VACUUM PYROLYSIS OF ISOXAZOLO- AND ISOTHIAZOLOPYRIMIDINES

Kappe, C. Oliver,Flammang, Robert,Wentrup, Curt

, p. 1615 - 1622 (2007/10/02)

The multi-step synthesis of isothiazolopyrimidines (1c, 1d) and isoxazolopyrimidine (1b) is described.Flash vacuum pyrolysis of 1b leads to phenyliminopropadienone, Ph-N=C=C=C=O, which was identified by Ar matrix infrared spectroscopy.

The microwave spectrum and structure of bromine thiocyanate, BrSCN

Jemson, H. M.,Lewis-Bevan, W.,Gerry, M. C. L.

, p. 2478 - 2488 (2007/10/02)

The microwave spectra of 79BrSCN and 81BrSCN have been measured and analysed to give rotational, centrifugal distorsion, and Br quadrupole coupling constants.The molecule has been shown unambiguously to be BrSCN rather than BrNCS.A harmonic force field has been determined from combined vibrational and distorsion data.With structural parameters for the SCN chain transferred from S(CN)2, both effective and ground state average values for the BrS length and BrSC angle have been estimated.The Br quadropole tensor haas been diagonalized, and the BrS bond is shown not to be bent.

Gas-Phase Synthesis and Reactions of Nitrogen- and Sulfur-Containing Anions

Bierbaum, Veronica M.,Grabowski, Joseph J.,DePuy, Charles H.

, p. 1389 - 1393 (2007/10/02)

The flowing afterglow and selected ion-flow tube techniques have been used to study the reactions of H2N- with N2O, CO2, CS2, SO2, and OCS in the gas phase.Thermal energy rate coefficients and product branching ratios have been determined and are discussed in terms of detailed reaction mechanisms.With use of the SIFT-drift technique, the product distribution for the reaction of H2N- with N2O was measured as a function of the center of mass kinetic energy in the range of thermal energy to ca. 15 kcal mol1-.Qualitative studies were made of the reactions of HO-, CH3O-, and (CH3)2N- with N2O, CO2, CS2, SO2, and OCS, and the reactions of a variety of other ions with OCS were also examined.These reactions provide efficient synthetic routes for the gas-phase preparation of a variety of interesting negative ions containing nitrogen and sulfur.The basicities and heats of formation of three of these anions, H2NS-, NSO-, and NCS-, have been bracketed by proton-transfer reactions.The nucleophilicities of these three anions, as well as of H2N-, HO-, HO2-, F-, HS-, CN-, NCO-, N3-, Cl-, and Br- toward CH3I, have been measured.

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