9-Cyanoanthracene
Basic information
- CAS
1210-12-4- Standard SMILES
N#Cc1c2ccccc2cc2ccccc12- InChIKey
KEQZHLAEKAVZLY-UHFFFAOYSA-N- Molecular formula
- C15H9N
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.07349929
Overview
structure in first source
Names & identifiers
- Preferred name
- 9-Cyanoanthracene
- IUPAC
- anthracene-9-carbonitrile
- English name
- 9-Anthrracenecarbonitrile
- Molecular formula
- C15H9N
- Molecular weight
- 203.24
Names & synonyms
9-Anthracenecarbonitrile1210-12-49-Cyanoanthracene9-AnthroylnitrileDTXSID3049209NSC-269976D39005L8TDTXCID9029065RefChem:1078119-ANN214-909-7anthracene-9-carbonitrile
Show more names
AKOS B0040359-Anthryl cyanide9-Cyanoanthracene >LABOTEST-BB LT001594499-Anthracen-Carboxylic Acid
9-Anthrracenecarbonitrile9-AnthronitrileMFCD000012429-cyanoantraceneUNII-6D39005L8TEINECS 214-909-7NSC 26997SCHEMBL32211
Database identifiers
- CAS
1210-12-4- PubChem CID
- 14586
- DTXSID
DTXSID3049209- ChEMBL
CHEMBL3185506- UNII
- 6D39005L8T
- EC Number
- 214-909-7
- Nikkaji
- J127I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP3.98
Vapor Pressure0.00000326 [mmHg]
Physical DescriptionPowder; [MSDSonline]
Physicochemical properties
- Melting point
- 173 · 173-177 °C(lit.)
- Boiling point
- 413.8 · 413.8±14.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- powder
- Appearance
- Light yellow to yellow Solid
- Water Solubility
- Insoluble in water.
- BRN
- 1911437 · 1911437
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 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [MSDSonline] See NITRILES.
Hazard Classes and CategoriesAcute Tox. 4 (95.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302+H312+H332
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9-Anthracenecarbonitrile: ACTIVE
Applications
UsesAnthracene-9-carbonitrile was used to study the mechanism of charge separation within phenothiazine (PTZH) or phenoxazine (PXZH), and 9-cyanoanthracene(electron acceptor). Also it has been used to study the fluorescence excitation spectra of this compound .
Uses9-Anthrracenecarbonitrile was used to study the mechanism of charge separation within phenothiazine (PTZH) or phenoxazine (PXZH), and 9-cyanoanthracene(electron acceptor).
General DescriptionThe fluorescence excitation spectra of 9-anthracenecarbonitrile has been studied.
Upstream & downstream products
Downstream products
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Related reactions
1 records
Compound notes
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