Basic information
- CAS
224-53-3- Standard SMILES
c1ccc2c(c1)ccc1cc3ccc4ccccc4c3nc12- InChIKey
BTVBCAKHMZHLFR-UHFFFAOYSA-N- Molecular formula
- C21H13N
- Average molar mass
- 279.3 g/mol
- Monoisotopic mass
- 279.10479942
Overview
Dibenz[c,h]acridine is an organonitrogen heterocyclic compound and a polycyclic heteroarene.
Names & identifiers
- Preferred name
- Dibenz(c,h)acridine
- IUPAC
- 2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
- English name
- DIBENZ[C,H]ACRIDINE
- Molecular formula
- C21H13N
- Molecular weight
- 279.33
Names & synonyms
Dibenz[c,h]acridine224-53-3DIBENZ(C,H)ACRIDINE3,4:5,6-Dibenzacridine14-Azadibenz(a,j)anthraceneDTXSID301769295L5784WI2U14-Azadibenz[a,j]anthraceneRefChem:132796DTXCID7099420Dibenzo[c,H]acridine2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
Show more names
C460375Dibenz[c,h]acridine (purity)Dibenz[c,h]acridine in toluene52334, Dibenz[c,h]acridine (purity)
DIBENZ (c,h) ACRIDINE (purity)CCRIS 1892HSDB 4037BRN 0209259UNII-5L5784WI2UBTVBCAKHMZHLFR-UHFFFAOYSA-NDibenzo[c,H]acridine #3,4,5,6-Dibenzacridin
Database identifiers
- CAS
224-53-3- PubChem CID
- 9178
- DTXSID
DTXSID30176929- ChEBI
CHEBI:196267- UNII
- 5L5784WI2U
- EC Number
- 681-926-8
- Nikkaji
- J2.976I
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 369
Experimental & physicochemical properties
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials PropertiesAngular frequency
LogP6.42
Physicochemical properties
- Melting point
- 189 °C · 189°C
- Boiling point
- 412.11 °C · 412.11°C (rough estimate)
- Density
- 1.0343 · 1.0343 (rough estimate)
- refractive index
- 1.824 · 1.8240 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 4.25 · 4.25±0.30(Predicted)
- Water Solubility
- 19.55 ug/L · 19.55ug/L(22 ºC)
- BRN
- 209259 · 209259
- FDA UNII
- 5 L5784WI2U · 5L5784WI2U
- IARC
- 2 B · 2B (Vol. 103) 2013
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 351 · H351
- Precautionary statements
- 201 · P201-P308+P313
- Hazardous Substances Data
- 224 · 224-53-3(Hazardous Substances Data)
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
H371 (92.3%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
P260, P264, P270, P308+P316, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 13 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationHazard Traits - Carcinogenicity
Hazards SummaryEvidence of mutagenicity in Salmonella typhimurium; [HSDB] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesSTOT SE 2 (92.3%)
Toxicology
Adverse EffectsIARC Carcinogen - Class 3: Chemicals are not classifiable by the International Agency for Research on Cancer.
Artificial Pollution SourcesFORMED FROM INCOMPLETE COMBUSTION OF ORGANIC MATERIALS (EG, REFUSE BURNING, OPERATION OF MOTOR VEHICLES, INDUST PROCESSES)
Carcinogen Classification
Dibenz[c,h]acridine
Group 2B: Possibly carcinogenic to humans
Volume 103: (2013) Bitumens and Bitumen Emissions, and some N- and S-Heterocyclic Aromatic Hydrocarbons
2013
2011
NB Overall evaluation upgraded to Group 2B with supporting evidence from other relevant data
Non-Human Toxicity Excerpts
ACTIVITIES OF SOME CARCINOGENIC HETEROCYCLIC COMPD: DIBENZ(C,H)ACRIDINE, SLIGHT. /FROM TABLE/
3,4,5,6-DIBENZACRIDINE-INDUCTION OF REVERTANTS IN 4 TEST STRAINS OF S TYPHIMURIUM. TEST RESULT: POS.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H351
- Precautionary statements
- P201-P308+P313
- Hazardous Substances Data
- 224-53-3(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Uses
Used as research chemical; Not commercially produced or used in the US; [HSDB]
BIOCHEMICAL RESEARCH
U.S. Exports
(1975) No Data
(1977) No Data
U.S. Imports
(1975) No Data
(1977) No Data
U.S. Production
(1975) NOT PRODUCED COMMERCIALLY IN US
(1977) NOT PRODUCED COMMERCIALLY IN US
Methods of ManufacturingFORMED FROM INCOMPLETE COMBUSTION OF ORGANIC MATERIALS (EG, REFUSE BURNING, OPERATION OF MOTOR VEHICLES, INDUST PROCESSES)
Suppliers2 total
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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