6-Chloro-3-formylchromone
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Basic information
- CAS
42248-31-7- Standard SMILES
O=Cc1coc2ccc(Cl)cc2c1=O- InChIKey
LIGLNCRTMDRUAO-UHFFFAOYSA-N- Molecular formula
- C10H5ClO3
- Average molar mass
- 208.6 g/mol
- Monoisotopic mass
- 207.9927217
Names & identifiers
- Preferred name
- 6-Chloro-3-formylchromone
- IUPAC
- 6-chloro-4-oxochromene-3-carbaldehyde
- English name
- 6-CHLORO-3-FORMYLCHROMONE
- Molecular formula
- C10H5ClO3
- Molecular weight
- 208.6
Names & synonyms
6-Chloro-3-formylchromone42248-31-76-chloro-4-oxochromene-3-carbaldehydeDTXSID20332754RefChem:541635DTXCID10283847806-946-86-chloro-4-oxo-4H-chromene-3-carbaldehydeMFCD001391386-Chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde6-chloro-4-oxo-chromene-3-carbaldehydeCHEMBL84898
Show more names
RMA-322AKOS BBS-00001401TIMTEC-BB SBB003463IFLAB-BB F2121-00366-Chloro-3-formyl chromome6-Chloro-3-formyl-4-chromone6-Chloro-3-formylchromone,97%6-CHLORO-3-FORMYLCHROMONE 97%6-Chloro-3-formylchromone >
6-Chlorochromone-3-carboxaldehydeAKOS000267431C2869EN300-18415VU0490359-14H-1-Benzopyran-3-carboxaldehyde,6-chloro-4-oxo-6-Chloro-4-oxo-4H-1-benzopyran-3-carbaldehydeSCHEMBL5363245
Database identifiers
- CAS
42248-31-7- PubChem CID
- 463777
- DTXSID
DTXSID20332754- ChEMBL
CHEMBL84898- EC Number
- 806-946-8
- Nikkaji
- J757.164J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 166 · 166-168 °C(lit.)
- Boiling point
- 351.9 · 351.9±42.0 °C(Predicted)
- Density
- 1.561 · 1.561±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- powder to crystal
- color
- Light orange to Yellow to Green
- InChI
- InChI=1S/C10H5ClO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H
- InChIKey
- LIGLNCRTMDRUAO-UHFFFAOYSA-N
- SMILES
- C1OC2=CC=C(Cl)C=C2C(=O)C=1C=O
- CAS DataBase Reference
- 42248 · 42248-31-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29329900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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