Basic information
- CAS
22205-68-1- Standard SMILES
O=C(Cl)c1cc(I)c(I)c(I)c1- InChIKey
JQFAXAVCAIBPIE-UHFFFAOYSA-N- Molecular formula
- C7H2ClI3O
- Average molar mass
- 518.25 g/mol
- Monoisotopic mass
- 517.6928
Names & identifiers
- Preferred name
- 3,4,5-Triiodobenzoyl chloride
- IUPAC
- 3,4,5-triiodobenzoyl chloride
- English name
- 3,4,5-Triiodobenzoyl chloride
- Molecular formula
- C7H2ClI3O
- Molecular weight
- 518.26
Names & synonyms
3,4,5-Triiodobenzoyl chloride22205-68-1BENZOYL CHLORIDE, 3,4,5-TRIIODO-3G55QVU7JYNSC-89298DTXSID80176757RefChem:90925DTXCID9099248683-713-5NSC 89298BRN 24505733,4,5-Triiodobenzoylchloride
Show more names
NSC89298UNII-3G55QVU7JYWLN: IR BI CI EVG3,5-Triiodobenzoyl chloride3-09-00-01461 (Beilstein Handbook Reference)Benzoyl chloride,4,5-triiodo-SCHEMBL4265740AKOS024399323
Database identifiers
- CAS
22205-68-1- PubChem CID
- 31067
- DTXSID
DTXSID80176757- UNII
- 3G55QVU7JY
- EC Number
- 683-713-5
- Nikkaji
- J41.857I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 138 · 138-139 °C
- Boiling point
- 418.5 · 418.5±45.0 °C(Predicted)
- Density
- 2.846 · 2.846±0.06 g/cm3(Predicted)
- FDA UNII
- 3 G55QVU7JY · 3G55QVU7JY
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H413
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P271, P273, P280, P302+P352, P304+P340, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H413
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
安庆合生药业有限公司0556-5200952 18156626239 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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