7-Chloro-1,3-dioxaindane-5-carbaldehyde
Basic information
- CAS
88525-51-3- Standard SMILES
O=Cc1cc(Cl)c2c(c1)OCO2- InChIKey
SFBUWLLIFJURHG-UHFFFAOYSA-N- Molecular formula
- C8H5ClO3
- Average molar mass
- 184.57 g/mol
- Monoisotopic mass
- 183.9927217
Names & identifiers
- Preferred name
- 7-Chloro-1,3-dioxaindane-5-carbaldehyde
- IUPAC
- 7-chloro-1,3-benzodioxole-5-carbaldehyde
- English name
- 7-Chloro-1,3-benzodioxole-5-carbaldehyde
- Molecular formula
- C8H5ClO3
- Molecular weight
- 184.58
Names & synonyms
7-Chloro-1,3-dioxaindane-5-carbaldehydeRefChem:546006101-556-888525-51-37-chlorobenzo[d][1,3]dioxole-5-carbaldehyde7-Chloro-benzo[1,3]dioxole-5-carbaldehyde7-chloro-1,3-benzodioxole-5-carbaldehyde7-chloro-2H-1,3-benzodioxole-5-carbaldehydeMFCD011248651,3-Benzodioxole-5-carboxaldehyde,7-chloro-ZINC396427-chloro-2H-benzo[d]1,3-dioxolane-5-carbaldehyde
Show more names
SCHEMBL352807DTXSID403502987chloro13benzodioxole5carbaldehydeSFBUWLLIFJURHG-UHFFFAOYSA-NNDA52551SBB027803STK935288ZINC00039642
Database identifiers
- CAS
88525-51-3- PubChem CID
- 676492
- DTXSID
DTXSID40350298- EC Number
- 101-556-8
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 296.3 · 296.3±40.0 °C(Predicted)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P362-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
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P362-P501
Related reactions
32 records
Compound notes
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