Basic information
- CAS
13001-29-1- Standard SMILES
ClCCOc1c(Cl)cc(Cl)cc1Cl- InChIKey
YNJGVSWHTYTTDC-UHFFFAOYSA-N- Molecular formula
- C8H6Cl4O
- Average molar mass
- 259.9 g/mol
- Monoisotopic mass
- 257.91727553
Names & identifiers
- Preferred name
- 1,3,5-Trichloro-2-(2-chloroethoxy)benzene
- IUPAC
- 1,3,5-trichloro-2-(2-chloroethoxy)benzene
- English name
- 2-(2,4,6-Trichloro phenoxy)chloroethane
- Molecular formula
- C8H6Cl4O
- Molecular weight
- 259.94
Names & synonyms
1,3,5-trichloro-2-(2-chloroethoxy)benzene13001-29-1DTXSID50460973RefChem:217426DTXCID40411792Benzene, 1,3,5-trichloro-2-(2-chloroethoxy)-2-(2,4,6-TRICHLORO PHENOXY)CHLOROETHANEMFCD105664052-(2,4,6-trichlorophenoxy)-ethyl chloride2-(2,4,6-trichlorophenoxy)ethyl chlorideSCHEMBL9348258YNJGVSWHTYTTDC-UHFFFAOYSA-N
Show more names
BS-506292-(2,4,6-trichlorophenoxy) ethyl chloride1,3,5-Trichloro-2-(2-chloro-ethoxy)-benzeneE76512F847850
Database identifiers
- CAS
13001-29-1- PubChem CID
- 11276959
- DTXSID
DTXSID50460973
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Melting point
- 31 °C · 31 °C
- Boiling point
- 140 · 140-142 °C(Press: 6 Torr)
- Density
- 1.467 · 1.467±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesUsed as an intermediate of the fungicide prochloraz.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers15 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
苏州莱克施德药业有限公司0512-63970158-603 18018108880 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
Related reactions
11 records
Compound notes
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