1,1'-(2,2,2-Trichloroethylidene)bis(4-iodobenzene)
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Basic information
- CAS
3972-13-2- Standard SMILES
ClC(Cl)(Cl)C(c1ccc(I)cc1)c1ccc(I)cc1- InChIKey
CLPVQCQBVPUQMN-UHFFFAOYSA-N- Molecular formula
- C14H9Cl3I2
- Average molar mass
- 537.4 g/mol
- Monoisotopic mass
- 535.78593
Names & identifiers
- Preferred name
- 1,1'-(2,2,2-Trichloroethylidene)bis(4-iodobenzene)
- IUPAC
- 1-iodo-4-[2,2,2-trichloro-1-(4-iodophenyl)ethyl]benzene
- English name
- 2,2-Bis(4-iodophenyl)-1,1,1-trichloroethane
- Molecular formula
- C14H9Cl3I2
- Molecular weight
- 537.39
Names & synonyms
3972-13-2ETHANE, 2,2-BIS(4-IODOPHENYL)-1,1,1-TRICHLORO-2,2-Bis(p-iodophenyl)-1,1,1-trichloroethaneEthane, 1,1,1-trichloro-2,2-bis(p-iodophenyl)-Benzene, 1,1'-(2,2,2-trichloroethylidene)bis(4-iodo-DTXSID90192802Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-iodo-RefChem:1051512DTXCID901152931,1'-(2,2,2-Trichloroethylidene)bis(4-iodobenzene)1-iodo-4-[2,2,2-trichloro-1-(4-iodophenyl)ethyl]benzene2,2-Bis(4-iodophenyl)-1,1,1-trichloroethane
Show more names
NSC-13694NSC 13694BRN 2562308NSC13694WLN: GXGGYR DI&R DI4-05-00-01889 (Beilstein Handbook Reference)L4BS563H8VSCHEMBL6059399
Database identifiers
- CAS
3972-13-2- PubChem CID
- 19874
- DTXSID
DTXSID90192802- UNII
- L4BS563H8V
- EC Number
- 141-510-4
- Nikkaji
- J71.394E
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 472.3 · 472.3±45.0 °C(Predicted)
- Density
- 2.032 · 2.032±0.06 g/cm3(Predicted)
- FDA UNII
- 4 BS563H8V · L4BS563H8V
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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