N-Nitrosoglyphosate
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Basic information
- CAS
56516-72-4- Standard SMILES
O=NN(CC(=O)O)CP(=O)(O)O- InChIKey
BJYYBQPCMQGLLZ-UHFFFAOYSA-N- Molecular formula
- C3H7N2O6P
- Average molar mass
- 198.07 g/mol
- Monoisotopic mass
- 198.00417295
Overview
nitrosation product of herbicide glyphosphate
Names & identifiers
- Preferred name
- N-Nitrosoglyphosate
- IUPAC
- 2-[nitroso(phosphonomethyl)amino]acetic acid
- English name
- N-Nitroso-N-(phosphonoMethyl)glycine
- Molecular formula
- C3H7N2O6P
- Molecular weight
- 198.07
Names & synonyms
Nitrosoglyphosate56516-72-4N-NitrosoglyphosateN-NitrosoglyphosphateGLYCINE, N-NITROSO-N-(PHOSPHONOMETHYL)-2HME3JQ5MMDTXSID30205066RefChem:164004DTXCID30127557N-Nitroso-N-(phosphonomethyl)glycine2-[nitroso(phosphonomethyl)amino]acetic acid[nitroso(phosphonomethyl)amino]acetic acid
Show more names
N-Nitroso-N-(phosphonomethyl)glycine, techGlyphosate Impurity 1 (N-Nitroso-Glyphosate)Acetic acid, 2-[nitroso(phosphonomethyl)amino]-
CHEMBL960102-(NITROSO(PHOSPHONOMETHYL)AMINO)ACETIC ACIDC3H7N2O6PGlyphosate-N-nitrosoUNII-2HME3JQ5MMorb3181841SCHEMBL11236351MSK22911
Database identifiers
- CAS
56516-72-4- PubChem CID
- 41910
- DTXSID
DTXSID30205066- ChEMBL
CHEMBL96010- UNII
- 2HME3JQ5MM
- Nikkaji
- J75.746B
Properties
Computed structural propertiesFilling in
- XLogP
- -1.9
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 119 oC · >119oC (subl.)
- Boiling point
- 634.1 · 634.1±65.0 °C(Predicted)
- Density
- 1.97 · 1.97±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 2 · 2.00±0.10(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- InChI
- InChI=1S/C3H7N2O6P/c6-3(7)1-5(4-8)2-12(9,10)11/h1-2H2,(H,6,7)(H2,9,10,11)
- InChIKey
- BJYYBQPCMQGLLZ-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CN(N=O)CP(O)(O)=O
- FDA UNII
- 2 HME3JQ5MM · 2HME3JQ5MM
- Toxicity
- 1 mL/plate · mmo-sat 1 mL/plate MUREAV 48,225,77
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mmo-sat 1 mL/plate MUREAV 48,225,77
Chemistry & industry
Applications
UsesN-Nitroso-N-(phosphonomethyl)glycine is used as herbicide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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