Basic information
- CAS
15052-05-8- Standard SMILES
c1c2c(cc3c1OCO3)CNCC2- InChIKey
JHLDJOBIUVJSTG-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Overview
structure in first source
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydro-1,3-dioxolo(4,5-g)isoquinoline
- IUPAC
- 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
- English name
- 5,6,7,8-TETRAHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLINE
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
RefChem:1988125,6,7,8-tetrahydro-1,3-dioxolo(4,5-g)isoquinoline5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline94143-83-6MFCD08234799Norhydrohydrastinine2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolineYUX7F87VRCCHEMBL40911372H,5H,6H,7H,8H-(1,3)Dioxolo(4,5-g)isoquinoline5,6,7,8-Tetrahydro[1,3]dioxolo[4,5-g]isoquinoline5,6,7,8-Tetrahydro-(1,3)dioxolo(4,5-g)isoquinoline
Show more names
1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-5,6,7,8-Tetrahydro-[1,3]Dioxolo[4,5-G]Isoquinoline(WX604669)
UNII-YUX7F87VRCSCHEMBL265187SCHEMBL6635606SCHEMBL6635609SCHEMBL8851253SCHEMBL30422918DTXSID501363080Isoquinoline, 5,6-methylenedioxy-
Database identifiers
- CAS
15052-05-8、94143-83-6- PubChem CID
- 27013
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 197 · 197-199 °C(Press: 50 Torr)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- pka
- 9.01 · 9.01±0.20(Predicted)
- Appearance
- Off-white to light yellow Solid
- FDA UNII
- 7 F87VRC · YUX7F87VRC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H335-H302-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is a reactant used in the synthesis of Crispine-A and Dysoxyline.
Suppliers23 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
山东龙辰药业有限公司15964061209 15964061209 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
南京宏望医药科技有限公司15366073145 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
Related reactions
6 records
Compound notes
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