8-Chloro-[1,3]dioxolo[4,5-g]quinazoline
Basic information
- CAS
72700-23-3- Standard SMILES
Clc1ncnc2cc3c(cc12)OCO3- InChIKey
RZCJSVRGPHXBSM-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2O2
- Average molar mass
- 208.6 g/mol
- Monoisotopic mass
- 208.0039551
Names & identifiers
- Preferred name
- 8-Chloro-[1,3]dioxolo[4,5-g]quinazoline
- IUPAC
- 8-chloro-[1,3]dioxolo[4,5-g]quinazoline
- English name
- 4-Chloro-6,7-methylenedioxyquinazoline
- Molecular formula
- C9H5ClN2O2
- Molecular weight
- 208.6
Names & synonyms
8-chloro-[1,3]dioxolo[4,5-g]quinazoline72700-23-34-Chloro-6,7-methylenedioxyquinazolineMFCD098353738-CHLORO-2H-[1,3]DIOXOLO[4,5-G]QUINAZOLINESCHEMBL367950SCHEMBL29589537DTXSID80565708RZCJSVRGPHXBSM-UHFFFAOYSA-NXCA700234-Chloro-67-methylenedioxyquinazolineAKOS015897076
Show more names
1,3-Dioxolo[4,5-g]quinazoline, 8-chloro-
AB53316AS-360298-Chloro[1,3]dioxolo[4,5-g]quinazolineCS-0171024EN300-1662390
Database identifiers
- CAS
72700-23-3- PubChem CID
- 14935367
- DTXSID
DTXSID80565708
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 148 · 148-150 °C
- Boiling point
- 360.3 · 360.3±37.0 °C(Predicted)
- Density
- 1.566 · 1.566±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 0.77 · 0.77±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
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Related reactions
11 records
Compound notes
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