Basic information
- CAS
256-81-5- Standard SMILES
C1=Cc2ccccc2Cc2ccccc21- InChIKey
QPJORFLSOJAUNL-UHFFFAOYSA-N- Molecular formula
- C15H12
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.09390038
Overview
Dibenzo[a,d][7]annulene is a dibenzannulene.
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene
- IUPAC
- tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
- English name
- 5H-dibenzo[a,d]cycloheptene
- Molecular formula
- C15H12
- Molecular weight
- 192.26
Names & synonyms
256-81-55H-Dibenzo[a,d]cyclohepteneDibenzocycloheptatriene5H-Dibenzo(a,d)cyclohepteneSU01RRM3KEDTXSID60180276RefChem:538277DTXCID70102767205-969-55H-dibenzo[a,d][7]annulenedibenzo[a,d][7]annuleneCyproheptadine EP Impurity A
Show more names
Einecs 205-969-5Dibenzocycloheptene CRSCyproheptadine Impurity 115H-Dibenzo[α,d]cycloheptene5H-Dibenzo[a,d][7]annulene (Dibenzo11H-dibenzo[2,1-a:2,1-e][7]annulene
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaeneDibenzo[a,d]cyclohepteneDibenzo[a,d]cycloheptatriene1,2:5,6-Dibenzotropilidene2,3:6,7-Dibenzo-4-suberene2,3:6,7-Dibenzocycloheptatrienetricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,9,11,13-heptaeneSuberene
Database identifiers
- CAS
256-81-5- PubChem CID
- 67492
- DTXSID
DTXSID60180276- ChEMBL
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 46 °C · 46 °C
- Boiling point
- 175 · 175-195 °C(Press: 20 Torr)
- Density
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- storage temp.
- Amber Vial, Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- color
- White to Off-White
- Stability
- Light Sensitive
- FDA UNII
- 1 RRM3KE · SU01RRM3KE
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 301 · P301+P312+P330
- HS Code
- 2902909500 · 2902909500
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 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)
Safety data
- hs_code
- 2902909500
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
Uses5H-Dibenzo[a,d]cycloheptene was used in the synthesis of cyclotribenzylenes. Also functions as a calmodulin inhibitor affecting various crucial cellular processes.
Upstream & downstream products
Downstream products
Suppliers43 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司
Related reactions
2 records
Compound notes
Loading…