ChemicalBook--->CAS DataBase List--->75-13-8

75-13-8

75-13-8 Structure

75-13-8 Structure
IdentificationBack Directory
[Name]

ISOCYANIC ACID
[CAS]

75-13-8
[Synonyms]

HNCO
HN=C=O
JACS-75-13-8
Isocyanicaci
ISOCYANIC ACID
Polyisocyanates
Bayhydur XP 2451/1
Hydrogen isocyanate
Isocyanic acid(6CI,8CI,9CI)
[EINECS(EC#)]

200-808-5
[Molecular Formula]

CHNO
[MOL File]

75-13-8.mol
[Molecular Weight]

43.0247
Chemical PropertiesBack Directory
[Melting point ]

-86 °C
[Boiling point ]

41.91°C (rough estimate)
[density ]

1.04±0.1 g/cm3(Predicted)
[refractive index ]

1.4300 (estimate)
[PH]

3.35(1 mM solution);2.76(10 mM solution);2.23(100 mM solution)
[Specific Heat Capacity]

Cp(gas):1.0437J/(g·K),at 25℃
[Henry's Law Constant]

2.0×10-1 mol/(m3Pa) at 25℃, Roberts and Liu (2019)
[InChI]

InChI=1S/CHNO/c2-1-3/h2H
[InChIKey]

OWIKHYCFFJSOEH-UHFFFAOYSA-N
[SMILES]

N=C=O
[EPA Substance Registry System]

Isocyanic acid (75-13-8)
Hazard InformationBack Directory
[Definition]

ChEBI: A colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology.
[Hazard]

Severe explosion risk. Strong irritant to eyes, skin and mucous membranes.
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Exclamation Mark (GHS07)Corrosion (GHS05)
GHS08,GHS07,GHS05
[Signal word ]

Danger
[Hazard statements ]

H314-H335-H332-H302-H312-H334
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P363-P501-P261-P285-P304+P341-P342+P311-P501-P261-P271-P304+P340-P312
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitric acid-->Benzene-->Formaldehyde
[Preparation Products]

Leather coating agent-->cyanic acid-->isofulminic acid-->Trifluoroacetyl isocyanate,-->Biuret
Questions And AnswerBack Directory
[Chemical Properties]

Isocyanic acid (HNCO) is a volatile, moderately acidic compound, and the simplest member of the isocyanate family.
Isocyanic acid is a colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology. It is a hydracid and a one-carbon compound. It is a conjugate acid of a cyanate. It is a tautomer of a cyanic acid.
[Physical properties]

Isocyanic acid (ICA, Cas no. 75-13- 8) is a strong organic acid with a kPa of 3.5. ICA is a very reactive compound that can readily transform into other substances. It can lose a proton in an aqueous environment under certain conditions, particularly if a strong base is present, forming an isocyanate. ICA is a tautomer of the less stable, cyanic acid (CAS no. 420-05-3). These forms interchange by a tautomerisation reaction, involving the migration of a hydrogen atom or proton accompanied by a switch of a double bond. ICA is an unstable liquid above 0o C with a tendency to polymerise. The primary polymerisation product, which is also generated in the gas form, is cyanuric acid (CAS no. 108-80-5), a cyclic trimer. ICA is soluble in water, but disintegrates both via ionisation and by formation of ammonia and carbon dioxide.
[Uses]

The primary use of methyl isocyanate (MIC, CAS no. 624-83-9) is as a chemical intermediate in the production of carbamate pesticides. MIC is also used to produce polyurethane foam and plastics (ATSDR, 2002). Isocyanic acid (ICA, Cas no. 75-13- 8) does not have commercial uses because of its instability. The potential for occupational exposure to ICA largely arises when it is generated as a thermal degradation product of other industrial processes. Ethyl isocyanate is a liquid used commercially to make pharmaceuticals and pesticides (NJDHSS, 2000). Phenyl isocyanate (PIC, CAS no. 103-71-9) is a trace constituent in commercial diphenyl methane diisocyanate products.
[Preparation]

Isocyanic acid was prepared in pure form by reaction of KOCN or NaOCN with stearic or oxalic acid in good yield.
Spectrum DetailBack Directory
[Spectrum Detail]

ISOCYANIC ACID(75-13-8)ESR
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