Basic information
- CAS
54397-20-5- Standard SMILES
O=[N+]([O-])c1cccc(COCCl)c1- InChIKey
YNEGTYXPKSYRQH-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO3
- Average molar mass
- 201.61 g/mol
- Monoisotopic mass
- 201.0192708
Names & identifiers
- Preferred name
- Chloromethyl m-nitrobenzyl ether
- IUPAC
- 1-(chloromethoxymethyl)-3-nitrobenzene
- English name
- 1-[(Chloromethoxy)methyl]-3-nitrobenzene
- Molecular formula
- C8H8ClNO3
- Molecular weight
- 201.61
Names & synonyms
Chloromethyl m-nitrobenzyl ether54397-20-5Benzene, 1-((chloromethoxy)methyl)-3-nitro-NSC 83566DTXSID4068953Benzene, 1-[(chloromethoxy)methyl]-3-nitro-RefChem:575893DTXCID2041701B7J5X6HLS31-[(Chloromethoxy)methyl]-3-nitrobenzeneNSC-83566NSC83566
Show more names
UNII-B7J5X6HLS3m-Nitrobenzyloxymethyl chlorideSCHEMBL11503161YNEGTYXPKSYRQH-UHFFFAOYSA-N1-[(Chloromethoxy)methyl ]-3-nitrobenzeneDB-354265
Database identifiers
- CAS
54397-20-5- PubChem CID
- 96644
- DTXSID
DTXSID4068953- UNII
- B7J5X6HLS3
- Nikkaji
- J429.255C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 147.5 · 147.5-148.5 °C(Press: 0.6 Torr)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- FDA UNII
- 7 J5X6HLS3 · B7J5X6HLS3
- EPA Substance Registry System
- Chloromethyl m-nitrobenzyl ether (54397-20-5)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-[(chloromethoxy)methyl]-3-nitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…