Basic information
- CAS
36729-73-4- Standard SMILES
O=[N+]([O-])c1ccccc1[O-].[Na+]- InChIKey
AXKBOWBNOCUNJL-UHFFFAOYSA-M- Molecular formula
- C6H4NNaO3
- Average molar mass
- 161.09 g/mol
- Monoisotopic mass
- 161.00888727
Names & identifiers
- Preferred name
- Sodium 2-nitrophenolate
- IUPAC
- sodium 2-nitrophenolate
Names & synonyms
Sodium 2-nitrophenolate824-39-5Sodium 2-nitrophenoxideo-Nitrophenol sodium saltDTXSID5035616Phenol, 2-nitro-, sodium saltEINECS 212-527-52-NitrophenoxysodiumEPA Pesticide Chemical Code 129076AI3-09053UNII-E51940U944SODIUM O-NITROPHENOL
Show more names
Phenol, 2-nitro-, sodium salt (1:1)DTXCID3015616E51940U944J27.361IRefChem:183628212-527-52-Nitrophenol Sodium SaltSodium o-nitrophenolate
Database identifiers
- CAS
36729-73-4、824-39-5- PubChem CID
- 69985
- DTXSID
DTXSID5035616- ChEMBL
CHEMBL3182627- UNII
- E51940U944
- EC Number
- 212-527-5、636-824-8
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Experimental & physicochemical properties
Pesticides
Plant Growth Regulators
Active substance -> EU Pesticides database: Approved
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
H242 (10.8%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P370+P378, P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 120 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory Information
Commission Regulation (EC) No 1490/2002
2009/11, Reg. (EU) 2022/1480, Reg. (EU) 2023/1757, Reg. (EU) No 540/2011
Hazard Classes and Categories
Self-react. C (10.8%)
Acute Tox. 4 (100%)
Acute toxicity - category 4
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-nitro-, sodium salt (1:1): ACTIVE
Related reactions
1 records
Compound notes
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