Basic information
- CAS
5973-17-1- Standard SMILES
[NH4+].[O-]c1ccccc1- InChIKey
XABJJJZIQNZSIM-UHFFFAOYSA-N- Molecular formula
- C6H9NO
- Average molar mass
- 111.14 g/mol
- Monoisotopic mass
- 111.06841391
Names & identifiers
- Preferred name
- Ammonium phenolate
- IUPAC
- azanium phenoxide
Names & synonyms
Ammonium phenolatePhenol ammonium saltPhenol, ammonium saltammonium phenoxideammonium phenateUNII-4O42PIY058Phenol, ammonium salt (1:1)4O42PIY058EINECS 227-769-7DTXSID7064073PHENOL AMMONIUM SALT [MI]RefChem:199570
Show more names
DTXCID4042678227-769-75973-17-1
Database identifiers
- CAS
5973-17-1- PubChem CID
- 80075
- DTXSID
DTXSID7064073- UNII
- 4O42PIY058
- EC Number
- 227-769-7
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 46.1
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P317, P321, P330, P361+P364, P362+P364, 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. 3 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, ammonium salt (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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