Basic information
- CAS
6882-28-6- Standard SMILES
C1=NCCc2cc3c(cc21)OCO3- InChIKey
KXWLFPPSOCSXPZ-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 2H,7H,8H-[1,3]dioxolo[4,5-g]isoquinoline
- IUPAC
- 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
- English name
- 7,8-Dihydro-1,3-dioxolo[4,5-g]isoquinoline
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
2H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLINE2H,7H,8H-(1,3)dioxolo(4,5-g)isoquinolineRefChem:484070854-578-17,8-Dihydro-[1,3]dioxolo[4,5-g]isoquinoline6882-28-67,8-Dihydro-1,3-dioxolo[4,5-g]isoquinolineMFCD09863951SCHEMBL9573062SCHEMBL30834462DTXSID90462936AKOS006310146
Show more names
1,3-Dioxolo[4,5-g]isoquinoline, 7,8-dihydro-
3,4-dihydro-6,7-methylenedioxyisoquinolineDB-296694EN300-34589677,8-Dihydro-2H-[1,3]dioxolo[4,5-g]isoquinoline
Database identifiers
- CAS
6882-28-6- PubChem CID
- 11344293
- DTXSID
DTXSID90462936- EC Number
- 854-578-1
- Nikkaji
- J275.590D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- solubility
- soluble in Acetonirtrile; Dichloromethane; DMSO; Methanol
- form
- Solid
- color
- Off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses7,8-Dihydro-1,3-dioxolo[4,5-g]isoquinoline is an intermediate in synthesizing Hydrastinine Hydrochloride (H675703), which possesses antitussive activity but less effective orally than narcotine.
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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