Basic information
- CAS
267-48-1- Standard SMILES
C1=CC2=CC3OCOC3=CC2=N1- InChIKey
BGUGGEACYAZDOQ-UHFFFAOYSA-N- Molecular formula
- C9H7NO2
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.04767847
Names & identifiers
- Preferred name
- 5H-1,3-dioxolo[4,5-f]indole
- IUPAC
- 8aH-[1,3]dioxolo[4,5-f]indole
- English name
- 5,6-Methylenedioxyindole
- Molecular formula
- C9H7NO2
- Molecular weight
- 161.16
Names & synonyms
NSC 92516EINECS 205-976-3BRN 01326784-27-00-06314 (Beilstein Handbook Reference)RefChem:103559205-976-3267-48-15H-1,3-dioxolo(4,5-f)indole5H-1,3-dioxolo[4,5-f]indole8aH-[1,3]dioxolo[4,5-f]indole5,6-METHYLENEDIOXYINDOLE5H-[1,3]dioxolo[4,5-f]indol
Show more names
5-6-methylenedioxyindole tan crystals5H-[1,3]Dioxolo[4,5-f]indole - [D71752]
Database identifiers
- CAS
267-48-1- PubChem CID
- 9218
- EC Number
- 205-976-3
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 110 °C · 110 °C
- Boiling point
- 334.7 · 334.7±11.0 °C(Predicted)
- Density
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 16.93 · 16.93±0.20(Predicted)
- color
- tan
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 280 · P280
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36
- WGK Germany
- 3 · 3
- RTECS
- 4650000 · JI4650000
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- JI4650000
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses5H-[1,3]dioxolo[4,5-f]indole (5,6-Methylenedioxyindole) is an indole analogue commonly used in the preparation of other biologically active molecules, such as fungicides and anticancer agents.
Upstream & downstream products
Upstream raw materials
Suppliers52 total
上海策嵘生物科技有限公司[email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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