Basic information
- CAS
23399-88-4- Standard SMILES
CCOc1c(Cl)cc(Cl)cc1Cl- InChIKey
GYDFVBYBCDOBFE-UHFFFAOYSA-N- Molecular formula
- C8H7Cl3O
- Average molar mass
- 225.5 g/mol
- Monoisotopic mass
- 223.956248
Names & identifiers
- Preferred name
- 2,4,6-Trichlorophenetole
- IUPAC
- 1,3,5-trichloro-2-ethoxybenzene
- English name
- 2,4,6-trichlorophenetole
- Molecular formula
- C8H7Cl3O
- Molecular weight
- 225.5
Names & synonyms
1,3,5-trichloro-2-ethoxybenzene23399-88-42,4,6-TrichlorophenetoleBenzene, 1,3,5-trichloro-2-ethoxy-MFCD29044109EINECS 245-634-0Benzene, 1-ethoxy-2,4,6-trichloro54KF47MNE6SCHEMBL1764467SCHEMBL1764470SCHEMBL12681500DTXSID30177951
Show more names
2,4,6-Trichlorophenylethyl ether
2,4,6-trichlorophenyl ethyl ether1,3,5-trichloro-2-ethoxy-benzeneCS-0191071NS00027411E94103F629024
Database identifiers
- CAS
23399-88-4- PubChem CID
- 90087
- DTXSID
DTXSID30177951- UNII
- 54KF47MNE6
- EC Number
- 245-634-0
- Nikkaji
- J156.422F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- FDA UNII
- 54 KF47MNE6 · 54KF47MNE6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
南京代盟化工有限公司02566880956 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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