2-Nitroacetic Acid
Basic information
- CAS
625-75-2- Standard SMILES
O=C(O)C[N+](=O)[O-]- InChIKey
RGHXWDVNBYKJQH-UHFFFAOYSA-N- Molecular formula
- C2H3NO4
- Average molar mass
- 105.05 g/mol
- Monoisotopic mass
- 105.00620758
Overview
inhibits succinate dehydrogenase; RN given refers to parent cpd
Names & identifiers
- Preferred name
- 2-Nitroacetic Acid
- IUPAC
- 2-nitroacetic acid
- English name
- ALFA-NITRO ACETIC ACID
- Molecular formula
- C2H3NO4
- Molecular weight
- 105.05
Names & synonyms
Nitroacetic acid2-nitroacetic acid625-75-2Acetic acid, nitro-6CMX4X7N84RefChem:477176alpha-Nitroacetic acidALFA-NITROACETICACIDAcetic acid, 2-nitro-2-Nitroaceticacid2-nitro-acetic acidDipotassium 2-nitroacetate
Show more names
2-nitroethanoic acidALFA-NITRO ACETIC ACID
UNII-6CMX4X7N84SCHEMBL153563CHEMBL571463DTXSID5058519SCHEMBL10627657AKOS006281924EN300-76804Q3299445
Database identifiers
- CAS
625-75-2- PubChem CID
- 43581
- DTXSID
DTXSID5058519- ChEMBL
CHEMBL571463- UNII
- 6CMX4X7N84
- EC Number
- 815-622-5
- Nikkaji
- J1.621.202D、J508H
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 92.4
Physicochemical properties
- Melting point
- 87 · 87-89 °C
- Boiling point
- 297.9 · 297.9±23.0 °C(Predicted)
- Density
- 1.523 · 1.523±0.06 g/cm3(Predicted)
- pka
- 1.48 · 1.48(at 24℃)
- FDA UNII
- 6 CMX4X7N84 · 6CMX4X7N84
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H302-H332
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H314-H302-H332
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Suppliers
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Related reactions
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Compound notes
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