Basic information
- CAS
3787-28-8- Standard SMILES
O=CC(Cl)=C(Cl)Cl- InChIKey
ZLWJEEVJKLGSRT-UHFFFAOYSA-N- Molecular formula
- C3HCl3O
- Average molar mass
- 159.39 g/mol
- Monoisotopic mass
- 157.909298
Names & identifiers
- Preferred name
- 2,3,3-Trichloropropenal
- IUPAC
- 2,3,3-trichloroprop-2-enal
- English name
- 2,3,3-TRICHLOROPROPENAL
- Molecular formula
- C3HCl3O
- Molecular weight
- 159.4
Names & synonyms
2,3,3-Trichloropropenal2,3,3-Trichloro-2-propenal2,3,3-Trichloroacrolein3787-28-82-Propenal, 2,3,3-trichloro-CCRIS 7473ACROLEIN, 2,3,3-TRICHLORO-HJQ59JSM89BRN 1745438DTXSID201913034-01-00-03441 (Beilstein Handbook Reference)RefChem:441583
Show more names
TRICHLOROACROLEIN
DTXCID901137942-Propenal, 2,3,3-trichloro-(9CI)2,3,3-trichloroprop-2-enal2,3,3-TrichloroacrylaldehydeUNII-HJQ59JSM89SCHEMBL4518464SCHEMBL8136880AKOS006271599
Database identifiers
- CAS
3787-28-8- PubChem CID
- 19623
- DTXSID
DTXSID20191303- UNII
- HJQ59JSM89
- EC Number
- 684-365-7
- Nikkaji
- J66.953I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 222.6 °C · 222.6°C (rough estimate)
- Density
- 1.7293 · 1.7293 (rough estimate)
- refractive index
- 1.4861 · 1.4861 (estimate)
- FDA UNII
- 59 JSM89 · HJQ59JSM89
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H335-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
- Toxicity
- 1 nmol/plate · mmo-sat 1 nmol/plate MUREAV 78,113,80
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- mmo-sat 1 nmol/plate MUREAV 78,113,80
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H318-H335-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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