Basic information
- CAS
815-58-7- Standard SMILES
O=C(Cl)C(Cl)=C(Cl)Cl- InChIKey
BCOSEZGCLGPUSL-UHFFFAOYSA-N- Molecular formula
- C3Cl4O
- Average molar mass
- 193.8 g/mol
- Monoisotopic mass
- 191.87032534
Names & identifiers
- Preferred name
- 2,3,3-Trichloro-2-propenoyl chloride
- IUPAC
- 2,3,3-trichloroprop-2-enoyl chloride
- English name
- 2,3,3-trichloroacryloyl chloride
- Molecular formula
- C3Cl4O
- Molecular weight
- 193.84
Names & synonyms
815-58-7Trichloroacryloyl chlorideTCATTrichloracrylyl chlorideTrichloroacrylyl chloride2-Propenoyl chloride, 2,3,3-trichloro-ACRYLOYL CHLORIDE, TRICHLORO-2,3,4-Trichloro-2-propenoyl chlorideChlorid kyseliny trichlorakrylove2-Propenoyl chloride, 2,3,4-trichloro-Q6E4V3JJ8MDTXSID6061155
Show more names
2,3,3-Trichloropropenoyl chloride
RefChem:899217DTXCID90482232,3,3-Trichloro-2-propenoyl chloride212-421-92,3,3-Trichloroacryloyl chlorideTRICHLOROPROP-2-ENOYL CHLORIDE2,3,3-trichloroprop-2-enoyl chlorideMFCD00043968
Database identifiers
- CAS
815-58-7- PubChem CID
- 13153
- DTXSID
DTXSID6061155- UNII
- Q6E4V3JJ8M
- EC Number
- 212-421-9
- Nikkaji
- J33.778A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 158 °C · 158°C (estimate)
- Density
- 1.7155 · 1.7155 (estimate)
- refractive index
- 1.5271 · 1.5271
- FDA UNII
- 6 E4V3JJ8M · Q6E4V3JJ8M
- EPA Substance Registry System
- 2 · 2-Propenoyl chloride, 2,3,3-trichloro- (815-58-7)
- TSCA
- TSCA listed
- Toxicity
- 270 mg · skn-rbt 270 mg MLD XEURAQ MDDC-1715
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards Summary
A mild skin and eye irritant; Causes somnolence, excitement, and dyspnea in inhalation lethal-concentration studies of rats; [RTECS] Reacts violently with water; May cause irritation and lachrymation; Harmful by ingestion; Highly toxic by inhalation; [Sigma-Aldrich MSDS] See Fumaryl chloride and Acrylyl chloride.
Safety & protection
Exposure Control and Personal Protection
TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLC50 (rat) = 107 ppm/30min
Safety data
- tsca
- TSCA listed
- Toxicity
- skn-rbt 270 mg MLD XEURAQ MDDC-1715
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoyl chloride, 2,3,3-trichloro-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
8 records
Compound notes
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