1,8-Dichloro-9,10-bis(phenylethynyl)anthracene
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Basic information
- CAS
51749-83-8- Standard SMILES
Clc1cccc2c(C#Cc3ccccc3)c3cccc(Cl)c3c(C#Cc3ccccc3)c12- InChIKey
YONGNHJIWAYNLC-UHFFFAOYSA-N- Molecular formula
- C30H16Cl2
- Average molar mass
- 447.3 g/mol
- Monoisotopic mass
- 446.0629059
Names & identifiers
- Preferred name
- 1,8-Dichloro-9,10-bis(phenylethynyl)anthracene
- IUPAC
- 1,8-dichloro-9,10-bis(2-phenylethynyl)anthracene
- English name
- 1,8-Dichloro-9,10-bis(phenylethynyl) anthracene
- Molecular formula
- C30H16Cl2
- Molecular weight
- 447.35
Names & synonyms
51749-83-81,8-Dichloro-9,10-bis(phenylethynyl)anthraceneDTXSID70348320RefChem:221776DTXCID60299392622-314-21,8-Dichloro-9,10-bis(phenylethynyl) anthracene1,8-dichloro-9,10-bis(2-phenylethynyl)anthraceneMFCD000120481,8-dichloroBPEA;1,8-dichloro-9,10-bis(phenylethynyl)anthracene (1,8-dichloroBPEA)C30H16Cl21,8-Dichloro-9,10-bis[phenylethenyl]anthracene
Show more names
DBEA1,8-DICHLORO-BPEA1,8-Dichloro-9,10-biYellow fluorescence dye DBEADichloro-9,10-bis(phenylethynyl) a9,10-Bis(phenylethynl)-1,8-dichloroanthracene9,10-BIS(PHENYLETHYNYL)-1,8-DICHLOROANTHRACENE1,8-Dichloro-9,10-bis(phenylethynyl)anthracene,99%
SCHEMBL551446SCHEMBL30165319AKOS015896188CS-W009655BS-16964SY124501DB-052016D5613
Database identifiers
- CAS
51749-83-8- PubChem CID
- 635032
- DTXSID
DTXSID70348320- EC Number
- 622-314-2
- Nikkaji
- J236.269D
Properties
Computed structural propertiesFilling in
- XLogP
- 9.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 734
Physicochemical properties
- Melting point
- 168 · 168-170 °C(lit.)
- Boiling point
- 524.89 °C · 524.89°C (rough estimate)
- Density
- 1.0703 · 1.0703 (rough estimate)
- refractive index
- 1.561 · 1.5610 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- InChI
- InChI=1S/C30H16Cl2/c31-27-15-7-13-24-23(19-17-21-9-3-1-4-10-21)25-14-8-16-28(32)30(25)26(29(24)27)20-18-22-11-5-2-6-12-22/h1-16H
- InChIKey
- YONGNHJIWAYNLC-UHFFFAOYSA-N
- SMILES
- C1(Cl)=C2C(C(C#CC3=CC=CC=C3)=C3C(=C2C#CC2=CC=CC=C2)C(Cl)=CC=C3)=CC=C1
- CAS DataBase Reference
- 51749 · 51749-83-8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
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 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- wgk
- 3
- risk_code
- 20/21/22-36/37/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-45
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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