Basic information
- CAS
1203-86-7- Standard SMILES
O=C(c1cc(Cl)c(Cl)cc1Cl)C(Cl)Cl- InChIKey
WKJXVVFAALGBOH-UHFFFAOYSA-N- Molecular formula
- C8H3Cl5O
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 289.862653
Names & identifiers
- Preferred name
- 2,2,2',4',5'-Pentachloroacetophenone
- IUPAC
- 2,2-dichloro-1-(2,4,5-trichlorophenyl)ethanone
- English name
- 2,2,2',4',5'-Pentachloroacetophenone
- Molecular formula
- C8H3Cl5O
- Molecular weight
- 292.37
Names & synonyms
1203-86-72,2,2',4',5'-PENTACHLOROACETOPHENONE2,4,5-Trichlorophenacylidene chloride2,2-dichloro-1-(2,4,5-trichlorophenyl)ethanone2,2-Dichloro-1-(2,4,5-trichlorophenyl)ethan-1-one2,4,5-Trichlorophenacylidene dichlorideEthanone, 2,2-dichloro-1-(2,4,5-trichlorophenyl)-HSDB 5794Acetophenone, 2,2,2',4',5'-pentachloro-EINECS 214-871-10R0K6674B9alpha,alpha,2,4,5-Pentachloroacetophenone
Show more names
2,2,25Pentachloroacetophenone2,4,5-trichlorophenacylidenechlorideα,α,2',4',5'-Pentachloroacetophenone2,2,2’,4’,5’-pentachloro-acetophenon2,4,5-trichlorophenacylidenedichloride2,2-dichloro-1-(2,4,5-trichlorophenyl)-ethanon
DTXSID5051608.ALPHA.,.ALPHA.,2,4,5-PENTACHLOROACETOPHENONE2,2,2',4',5'-PENTACHLOROACETOPHENONE [HSDB]RefChem:440368DTXCID00301602,4,5Trichlorophenacylidene chloride2,4,5Trichlorophenacylidene dichloridealpha,alpha,2,4,5Pentachloroacetophenone
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated
Physicochemical properties
- Boiling point
- 103 · 103-105 °C(Press: 0.05 Torr)
- Density
- 1.624 · 1.624
- Henry's Law Constant
- 2 · 2.0×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- FDA UNII
- 0 R0K6674B9 · 0R0K6674B9
- EPA Substance Registry System
- 2 · Ethanone, 2,2-dichloro-1-(2,4,5-trichlorophenyl)- (1203-86-7)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- TSCA
- TSCA listed
- Hazardous Substances Data
- 1203 · 1203-86-7(Hazardous Substances Data)
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis and pulmonary edema; May cause lacrimation; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety & protection
Disposal Methods
The following wastewater treatment technologies have been investigated for acetophenone: concentration process: activated carbon. /Acetophenone/
The following wastewater treatment technologies have been investigated for acetophenone: concentration process: resin adsorption. /Acetophenone/
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Non-Human Toxicity Excerpts
ACUTE ORAL AND SC LD50 VALUES OF PENTACHLOROACETOPHENONE WERE 1250 AND 290 MG/KG, RESPECTIVELY, FOR RATS, AND 700 AND 160 MG/KG, RESPECTIVELY, FOR MICE. SKIN RESORPTION LD50 WAS 1800 MG PENTACHLOROACETOPHENONE/KG FOR RATS. ACUTE AND CHRONIC INHALATION TOXICITY THRESHOLDS WERE 77 AND 28 MG/CU M, RESPECTIVELY.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 2,2-dichloro-1-(2,4,5-trichlorophenyl)-: INACTIVE
Applications
Uses2,4,5-Trichlorophenacylidene Chloride is an intermediate in the synthesis of 2,4,5-Trichlorophenylethanediol (T382940); a metabolite of Tetrachlorvinphos (T292305). 2,4,5-Trichlorophenylethanediol is the byproduct of Tetrachlorvinphos being consumed by Dogs and Rats.
Suppliers3 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…