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Diethyl N-2-thienylideneaminomethylphosphonate structure
Diethyl N-2-thienylideneaminomethylphosphonate structure

Diethyl N-2-thienylideneaminomethylphosphonate

Iupac Name:nitrous acid
CAS No.:7782-77-6
Molecular Weight:47.01344
1. Names and Identifiers
1.1 Name
Diethyl N-2-thienylideneaminomethylphosphonate
1.2 Synonyms

(2-thienyl)methylideneaminomethylphosphonate

1.3 CAS No.
7782-77-6
1.4 CID
24529
1.5 Molecular Formula
C12H16N4O7P2S (isomer)
1.6 Inchi
InChI=1S/HNO2/c2-1-3/h(H,2,3)
1.7 InChkey
IOVCWXUNBOPUCH-UHFFFAOYSA-N
1.8 Canonical Smiles
N(=O)O
1.9 Isomers Smiles
N(=O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
[271]
4. Safety and Handling
4.1 Safety Statements
Mutation data reported. Flammable by chemical reaction; a powerful oxidizer. Explodes on contact with phosphorus trichloride. Reacts violently with PH3 and PCl3. Reactions with 1-amino-5-nitrophenol, ammonium decahydroborate(2−), hydrazine (product is hydrogen azide) may give explosive products. Incompatible with anilines (e.g., 4-bromoaniline, 2-chloroaniline, 3-chloroaniline, 2-nitroaniline, 3-nitroaniline, 4-nitroaniline, aniline), semicarbazone, silver nitrate. When heated to decomposition it emits highly toxic fumes of NOx. See also NITRIC OXIDE.
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

6. Computational chemical data
  • Molecular Weight:47.01344g/mol
  • Molecular Formula:C12H16N4O7P2S
  • Exact Mass:47.000728
  • Monoisotopic Mass:47.000728
  • Complexity:10.3
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.7
  • Heavy Atom Count:3
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
8. Question & Answer
  • I was reading the reaction of primary nitroalkane with nitrous acid. I read this reaction Another mechanism which I saw: I am now confused whether the first mechanism occur or the second one.I tried to search it on google but didn't get anything which could clear this doubt .Please help me regardin...
  • Why is nitrous acid prepared in situ ? I am not sure about the above question. First of all, I don't exactly understand what is meant by " in situ ". Secondly, how would preparing nitrous acid in situ , in the diazotisation of amines with nitrous acid, make it less toxic or unstable?
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