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Basic information
- CAS
239-01-0- Standard SMILES
c1ccc2c(c1)ccc1c3ccccc3[nH]c21- InChIKey
MYKQKWIPLZEVOW-UHFFFAOYSA-N- Molecular formula
- C16H11N
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.08914935
Names & identifiers
- Preferred name
- Benzo[a]carbazole
- IUPAC
- 11H-benzo[a]carbazole
- English name
- 11H-BENZO[A]CARBAZOLE
- Molecular formula
- C16H11N
- Molecular weight
- 217.27
Names & synonyms
11H-Benzo[a]carbazole239-01-01,2-Benzocarbazole1,2-Benzcarbazole11-AzachrysofluoreneBENZO(A)CARBAZOLEBenzo[a]carbazole11H-Benzo(a)carbazole3Y3SPE26QXNSC 403640BRN 0155940EINECS 205-945-4
Show more names
11-BCNSC 6042111H-Benzo[c]carbazole11H-Benzo[a]carbazo|e
NSC-403640NSC-604215-20-08-00456 (Beilstein Handbook Reference)RefChem:565137205-945-4BenzocarbazoleC16H11NUNII-3Y3SPE26QX
Database identifiers
- CAS
239-01-0、67526-84-5- PubChem CID
- 9196
- DTXSID
DTXSID80946694- ChEMBL
CHEMBL1173622- UNII
- 3Y3SPE26QX
- EC Number
- 205-945-4
- Nikkaji
- J35.606I
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 266 ℃ · 266℃
- Boiling point
- 456 ℃ · 456℃
- Density
- 1.277 · 1.277
- refractive index
- 1.823 · 1.8230 (estimate)
- Flash point
- 208 ℃ · 208℃
- storage temp.
- Store at room temperature
- solubility
- Acetonitrile (Slightly), DMSO (Slightly)
- form
- powder to crystal
- pka
- 17 · 17.00±0.30(Predicted)
- color
- Plates from EtOH
- λmax
- 354 nm · 354nm(EtOH)(lit.)
- CAS DataBase Reference
- 239 · 239-01-0
- FDA UNII
- 3 Y3SPE26QX · 3Y3SPE26QX
- EPA Substance Registry System
- 1 · 1,2-Benzocarbazole (239-01-0)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- rtecs
- DE7025000
- hs_code
- 2933998090
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses11H-benzo[C]carbazole can be used as an industrial raw material in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Related reactions
10 records
Compound notes
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