Basic information
- CAS
303995-92-8- Standard SMILES
O=C(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ccc(Cl)cc1Cl- InChIKey
QDTMBTZTNZTGQA-UHFFFAOYSA-N- Molecular formula
- C13H6Cl5NO2
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 382.884117
Names & identifiers
- Preferred name
- 2,2,2-trichloro-1-[4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl]-1-ethanone
- IUPAC
- 2,2,2-trichloro-1-[4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl]ethanone
- English name
- 2,2,2-Trichloro-1-[4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl]-1-ethanone
- Molecular formula
- C13H6Cl5NO2
- Molecular weight
- 385.46
Names & synonyms
303995-92-82,2,2-trichloro-1-[4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl]-1-ethanone2,2,2-trichloro-1-[4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl]ethanoneMFCD001418442,2,2-trichloro-1-[4-(2,4-dichlorobenzoyl) -1H-pyrrol-2-yl]-1-ethanone2,2,2-trichloro-1-[4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl]ethan-1-one2,2,2-Trichloro-1-(4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl)ethan-1-oneBionet1_000672SCHEMBL13802891HMS569N14DTXSID401166564AKOS005069558
Show more names
Ethanone, 2,2,2-trichloro-1-[4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl]-
12C-056
Database identifiers
- CAS
303995-92-8- PubChem CID
- 2768554
- DTXSID
DTXSID401166564
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Melting point
- 177 · 177-179°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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