Benzene, (2,2-dichloroethyl)-
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Basic information
- CAS
1331-29-9- Standard SMILES
ClC(Cl)Cc1ccccc1- InChIKey
NGQTUWCDHLILAX-UHFFFAOYSA-N- Molecular formula
- C8H8Cl2
- Average molar mass
- 175.05 g/mol
- Monoisotopic mass
- 174.0003056
Names & identifiers
- Preferred name
- Benzene, (2,2-dichloroethyl)-
- IUPAC
- 2,2-dichloroethylbenzene
- English name
- Dichloroethylbenzene: (Ethyldichlorobenzene)
- Molecular formula
- C8H8Cl2
- Molecular weight
- 175.05512
Names & synonyms
4412-39-9Benzene, (2,2-dichloroethyl)-RefChem:1078203(2,2-dichloroethyl)benzene2,2-dichloroethylbenzene1331-29-9EthyldichlorobenzeneDICHLOROETHYLBENZENE: (ETHYLDICHLOROBENZENE)Benzene, dichloroethyl-1,1-Dichloro-2-phenylethanedichloroethylbenzeneSCHEMBL252017
Show more names
SCHEMBL454838SCHEMBL575184Benzene,(2,2-dichloroethyl)-SCHEMBL7201926SCHEMBL28039489DTXSID80905044InChI=1/C8H8Cl2/c9-8(10)6-7-4-2-1-3-5-7/h1-5,8H,6H
Database identifiers
- CAS
1331-29-9、4412-39-9- PubChem CID
- 74000
- DTXSID
DTXSID80905044- Nikkaji
- J80.826A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 85.3
Experimental & physicochemical properties
Density1.208 @25 °C
Physicochemical properties
- Melting point
- 44.47 °C · 44.47°C (estimate)
- Boiling point
- 228.7 °C · 228.7°C (estimate)
- Density
- 1.252 · 1.2520 (estimate)
- refractive index
- 1.5544 · 1.5544 (estimate)
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
Regulatory InformationChemical: Benzene, (2,2-dichloroethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety & protection
Protective Action Criteria (PAC)
17 [mg/m3]
180 [mg/m3]
1100 [mg/m3]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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