1,2:7,8-Dibenzocarbazole
Basic information
- CAS
239-64-5- Standard SMILES
c1ccc2c(c1)ccc1c3ccc4ccccc4c3[nH]c21- InChIKey
IUILSTHMSGDSHQ-UHFFFAOYSA-N- Molecular formula
- C20H13N
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.10479942
Names & identifiers
- Preferred name
- 1,2:7,8-Dibenzocarbazole
- IUPAC
- 12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
- English name
- 1,2：7,8-Dibenzocarbazole
- Molecular formula
- C20H13N
- Molecular weight
- 267.32
Names & synonyms
13H-Dibenzo[a,i]carbazole239-64-51,2:7,8-Dibenzocarbazole7H-Dibenzo(a,i)carbazole1,2,7,8-Dibenzcarbazole1,2;7,8-Dibenzocarbazole13H-DIBENZO(A,I)CARBAZOLEdibenzo[a,i]carbazoleDibenzo(a,i)carbazoleEINECS 205-949-613-Aza-13H-dibenzo(a,i)fluoreneNSC 109911
Show more names
Nsc109911Wln: T E6 D6 B566 cmj13(H)-DIBENZO[A,I]CARBAZOLE13(H)-Dibenzo[a,i]carbazole in toluene
BRN 0212021Q838JL2T8G13-Aza-13H-dibenzo[a,i]fluoreneNSC-109911DTXSID90753737H-Dibenzo[a,i]carbazoleRefChem:4122411,2,7,8Dibenzcarbazole
Database identifiers
- CAS
239-64-5- PubChem CID
- 9200
- DTXSID
DTXSID9075373- UNII
- Q838JL2T8G
- EC Number
- 205-949-6
- Nikkaji
- J34.862G
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Experimental & physicochemical properties
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
LogP5.89
Physicochemical properties
- Melting point
- 221.3 °C · 221.3°C
- Boiling point
- 400.51 °C · 400.51°C (rough estimate)
- Density
- 0.9889 · 0.9889 (rough estimate)
- refractive index
- 1.861 · 1.8610 (estimate)
- pka
- 17 · 17.00±0.30(Predicted)
- Water Solubility
- 10.4 ug/L · 10.4ug/L(24 ºC)
- FDA UNII
- 838 JL2T8G · Q838JL2T8G
- EPA Substance Registry System
- 1 · 1,2;7,8-Dibenzocarbazole (239-64-5)
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H302-H351
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 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummarySee POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesAcute Tox. 4 (92.7%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07,GHS09
- Hazard statements
- H410-H302-H351
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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