Basic information
- CAS
46492-08-4- Standard SMILES
O=C1c2ccccc2C(=O)c2cnccc21- InChIKey
ZLLVUAAESHIVAZ-UHFFFAOYSA-N- Molecular formula
- C13H7NO2
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.04767847
Overview
Benz[g]isoquinoline-5,10-dione has been reported in Mitracarpus hirtus with data available.
Names & identifiers
- Preferred name
- Benzo(g)isoquinoline-5,10-dione
- IUPAC
- benzo[g]isoquinoline-5,10-dione
- English name
- Benz[g]isoquinoline-5,10-dione
- Molecular formula
- C13H7NO2
- Molecular weight
- 209.2
Names & synonyms
Benz[g]isoquinoline-5,10-dione46492-08-4Benzo[g]isoquinoline-5,10-dioneBenz(g)isoquinoline-5,10-dioneBGIDBenzo(g)isoquinoline-5,10-dioneDTXSID80196854RefChem:118242DTXCID20119345630-619-7MFCD000103995H,10H-benzo[g]isoquinoline-5,10-dione
Show more names
Benz[g<3,4-Phthaloylpyridineβ-Anthrapyridinequinone2-aza-9,10-anthraquinone
CHEMBL179617Biquidone2-azaanthraquinoneNSC 338695SCHEMBL421291orb2695104SCHEMBL29350676BDBM50599583
Database identifiers
- CAS
46492-08-4- PubChem CID
- 100650
- DTXSID
DTXSID80196854- ChEMBL
CHEMBL179617- EC Number
- 630-619-7
- Nikkaji
- J38.215I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 178 · 178-180 °C(lit.)
- Boiling point
- 407 ℃ · 407℃
- Density
- 1.373 · 1.373
- Flash point
- 202 ℃ · 202℃
- pka
- 1.1 · 1.10±0.20(Predicted)
- InChI
- 1S/C13H7NO2/c15-12-8-3-1-2-4-9(8)13(16)11-7-14-6-5-10(11)12/h1-7H
- InChIKey
- ZLLVUAAESHIVAZ-UHFFFAOYSA-N
- SMILES
- O=C1c2ccccc2C(=O)c3cnccc13
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesBenz[g]isoquinoline-5,10-dione, an active component isolated from the ethanolic extract of the aerial parts of Mitracarpus scaber, demonstrates notable in vitro inhibitory activity against AIDS-related pathogens, along with significant antibacterial and antifungal properties, as evidenced by the agar well-diffusion assay.
General DescriptionBenz[g]isoquinoline-5,10-dione has been isolated as an active component from the ethanolic extract of the aerial parts of Mitracarpus scaber. It exhibits significant in vitro inhibitory activity against the AIDS-related pathogens. The in vitro antibacterial and anti-fungal activity of benz[g]isoquinoline-5,10-dione has been investigated using the agar well-diffusion assay.
Suppliers16 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
Aladdin Scientific[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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