5-Methoxy-2-nitrosophenol
Basic information
- CAS
13895-38-0- Standard SMILES
COc1ccc(N=O)c(O)c1- InChIKey
RNBFLAJNUZQUIK-UHFFFAOYSA-N- Molecular formula
- C7H7NO3
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.04259309
Names & identifiers
- Preferred name
- 5-Methoxy-2-nitrosophenol
- IUPAC
- 5-methoxy-2-nitrosophenol
- English name
- 4-Nitrosoresorcinol 1-monomethyl ether
- Molecular formula
- C7H7NO3
- Molecular weight
- 153.14
Names & synonyms
5-Methoxy-2-nitrosophenol13895-38-0Phenol, 5-methoxy-2-nitroso-MLF4SH3Z89NSC 75632BRN 0509918AI3-63008NSC-756324-08-00-01735 (Beilstein Handbook Reference)DTXSID2065674RefChem:103033DTXCID1034503
Show more names
Felbinac Impurity 202-Nitroso-5-methoxyphenol5-Methoxy-1,2-benzoquinone 2-oxime
RNBFLAJNUZQUIK-UHFFFAOYSA-N4-Nitrosoresorcinol 1-Monomethyl Ether3-Methoxy-6-nitrosophenol4-Nitrosoresorcinol-1-monomethyl etherMFCD247134274-Methoxy-1,2-benzoquinone 1-MonoximeConiferronUVO
Database identifiers
- CAS
13895-38-0- PubChem CID
- 83801
- DTXSID
DTXSID2065674- UNII
- MLF4SH3Z89
- EC Number
- 678-268-9
- Nikkaji
- J150.143G、J208.778B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 156 °C · 156 °C
- Boiling point
- 310 · 310.0±32.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 5.95 · 5.95±0.10(Predicted)
- form
- powder to crystal
- color
- White to Yellow to Orange
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 SH3Z89 · MLF4SH3Z89
- EPA Substance Registry System
- 5 · Phenol, 5-methoxy-2-nitroso- (13895-38-0)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 228 · H228-H315-H319
- Precautionary statements
- 210 · P210-P240-P241-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- RIDADR
- 1325 · 1325
- RTECS
- 7805000 · SL7805000
- TSCA
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
Warning
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P370+P378 (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 CategoriesFlam. Sol. 2 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- SL7805000
- ridadr
- 1325
- hs_code
- 2929900090
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_class
- 4.1
- packing_group
- III
- Hazard statements
- H228-H315-H319
- Precautionary statements
- P210-P240-P241-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 5-methoxy-2-nitroso-: INACTIVE
Related reactions
1 records
Compound notes
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