Basic information
- CAS
3776-30-5- Standard SMILES
O=C1C(Cl)(Cl)CCCC1(Cl)Cl- InChIKey
QCAHVKJGHYVLIS-UHFFFAOYSA-N- Molecular formula
- C6H6Cl4O
- Average molar mass
- 235.9 g/mol
- Monoisotopic mass
- 233.917276
Names & identifiers
- Preferred name
- 2,2,6,6-Tetrachlorocyclohexan-1-one
- IUPAC
- 2,2,6,6-tetrachlorocyclohexan-1-one
- English name
- 2,2,6,6-tetrachlorocyclohexan-1-one
- Molecular formula
- C6H6Cl4O
- Molecular weight
- 235.92
Names & synonyms
2,2,6,6-tetrachlorocyclohexanone2,2,6,6-Tetrachlorocyclohexan-1-oneEINECS 223-231-0cyclohexanone, 2,2,6,6-tetrachloro-NSC 238934DTXSID20191207RefChem:440759DTXCID90113698223-231-0InChI=1/C6H6Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h1-3H3776-30-52,2,6,6,-Tetrachlorocyclohexanone
Show more names
2,2,6,6-Tetrachloro-cyclohexanoneMFCD00019451C6H6Cl4ONSC238934SCHEMBL186373AKOS005259264NSC-238934s11298
Database identifiers
- CAS
3776-30-5- PubChem CID
- 77407
- DTXSID
DTXSID20191207- EC Number
- 223-231-0
- Nikkaji
- J154.007F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 83 · 83-84℃
- Boiling point
- 329.4 · 329.4±42.0 °C(Predicted)
- Density
- 1.53 · 1.53
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- HS Code
- 2914790090 · 2914790090
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, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers20 total
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
安徽元满化工产品销售有限公司+86-13816842796; 13816814028 · [email protected]
Related reactions
7 records
Compound notes
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