Basic information
- CAS
81-29-8- Standard SMILES
Clc1cc(Cl)c2ccc3c(Cl)cc(Cl)c4ccc1c2c43- InChIKey
KNMMEDCCXYQFAX-UHFFFAOYSA-N- Molecular formula
- C16H6Cl4
- Average molar mass
- 340 g/mol
- Monoisotopic mass
- 337.92236091
Names & identifiers
- Preferred name
- Pyrene, 1,3,6,8-tetrachloro-
- IUPAC
- 1,3,6,8-tetrachloropyrene
- English name
- 1,3,6,8-tetrachloropyrene
- Molecular formula
- C16H6Cl4
- Molecular weight
- 340.03
Names & synonyms
1,3,6,8-TetrachloropyrenePyrene, 1,3,6,8-tetrachloro-81-29-8EINECS 201-340-4NSC 93972BRN 2286916DTXSID302308384-05-00-02470 (Beilstein Handbook Reference)RefChem:177476DTXCID60153329201-340-43,5,8,10-Tetrachloropyrene
Show more names
1,6,8-TetrachloropyrenePyrene,3,6,8-tetrachloro-1,3,6,8-Tetrachloro-pyreneSCHEMBL4865977NSC93972NSC-93972AKOS024332950NS00038114
Database identifiers
- CAS
81-29-8- PubChem CID
- 66473
- DTXSID
DTXSID30230838- EC Number
- 201-340-4
- Nikkaji
- J192.585G
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 368 °C · 368 °C
- Boiling point
- 487.6 · 487.6±40.0 °C(Predicted)
- Density
- 1.62 · 1.620±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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