Basic information
- CAS
2591-92-6- Standard SMILES
O=C1C=CC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl- InChIKey
NLQWHIOPRSWUAS-UHFFFAOYSA-N- Molecular formula
- C11H4Cl6O2
- Average molar mass
- 380.9 g/mol
- Monoisotopic mass
- 377.83424545
Names & identifiers
- Preferred name
- 1,2,3,4,9,9-Hexachloro-1,4,4A,8A-tetrahydro-1,4-methanonaphthalene-5,8-dione
- IUPAC
- 1,8,9,10,11,11-hexachlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
- English name
- 1,2,3,4,9,9-HEXACHLORO-1,4,4A,8A-TETRAHYDRO-1,4-METHANONAPHTHALENE-5,8-DIONE
- Molecular formula
- C11H4Cl6O2
- Molecular weight
- 380.87
Names & synonyms
1,2,3,4,9,9-Hexachloro-1,4,4A,8A-Tetrahydro-1,4-Methanonaphthalene-5,8-DioneRefChem:410476654-276-82591-92-6MLS002638858SMR0015483201,4-Methanonaphthalene-5,8-dione, 1,2,3,4,9,9-hexachloro-1,4,4a,8a-tetrahydro-NSC222051,8,9,10,11,11-hexachlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dionecid_228947CHEMBL1704627SCHEMBL11457123
Show more names
NLQWHIOPRSWUAS-UHFFFAOYSA-N
BDBM94159DTXSID70281622HMS3088I11NSC49583NSC-22205NSC-49583AKOS024429327Tricyclo[6.2.1.0(2,7)]undeca-4,9-dien-3,6-dione, 1,8,9,10,11,11-hexachloro-
Database identifiers
- CAS
2591-92-6- PubChem CID
- 228947
- DTXSID
DTXSID70281622- ChEMBL
CHEMBL1704627- EC Number
- 654-276-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
ASDI-INTER[email protected]
Related reactions
26 records
Compound notes
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