Basic information
- CAS
89693-67-4- Standard SMILES
COc1cc([N+](=O)[O-])ccc1P(=O)(O)O- InChIKey
BWDAHECHVSVBTM-UHFFFAOYSA-N- Molecular formula
- C7H8NO6P
- Average molar mass
- 233.12 g/mol
- Monoisotopic mass
- 233.00892397
Overview
See also: (2-Methoxy-4-nitro-phenyl)-phosphonic acid (annotation moved to).
Names & identifiers
- Preferred name
- (2-Methoxy-4-nitrophenyl)phosphonic acid
- IUPAC
- (2-methoxy-4-nitrophenyl)phosphonic acid
- English name
- (2-methoxy-4-nitrophenyl)phosphonic acid
- Molecular formula
- C7H8NO6P
- Molecular weight
- 233.115281
Names & synonyms
(2-methoxy-4-nitrophenyl)phosphonic acid89693-67-42-Methoxy-4-nitrophenylphosphonic acidNSC140272SCHEMBL7824969DTXSID90300980AKOS024331909NSC-140272(2-methoxy-4-nitro-phenyl)phosphonic acidDS-007735
Database identifiers
- CAS
89693-67-4- PubChem CID
- 284451
- DTXSID
DTXSID90300980
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- pka
- 1 · pK1:1.53;pK2:6.96 (25°C)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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