4-chloro-7-(diethylamino)-2-oxo-2H-chromene-3-carbaldehyde
Basic information
- CAS
136918-66-6- Standard SMILES
CCN(CC)c1ccc2c(Cl)c(C=O)c(=O)oc2c1- InChIKey
CYXXVTLWYIGJJW-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO3
- Average molar mass
- 279.72 g/mol
- Monoisotopic mass
- 279.066221
Names & identifiers
- Preferred name
- 4-chloro-7-(diethylamino)-2-oxo-2H-chromene-3-carbaldehyde
- IUPAC
- 4-chloro-7-(diethylamino)-2-oxochromene-3-carbaldehyde
- English name
- 4-chloro-7-(diethylamino)-2-oxo-2H-chromene-3-carbaldehyde
- Molecular formula
- C14H14ClNO3
- Molecular weight
- 279.72
Names & synonyms
4-chloro-7-(diethylamino)-2-oxo-2H-chromene-3-carbaldehyde136918-66-6RefChem:521663987-839-4MFCD002329784-chloro-7-(diethylamino)-2-oxochromene-3-carbaldehydeOprea1_019991SCHEMBL2195842SCHEMBL29493311EX-A15450HLFA918662H-1-Benzopyran-3-carboxaldehyde, 4-chloro-7-(diethylamino)-2-oxo-
Show more names
4-chloro-7-diethylaminocoumarin-3-aldehyde4-chloro-7-(diethylamino)-3-formyl-2H-chromen-2-one
STK368503AKOS005444176SY148928CS-0132698ST50907789EN300-124036G67241F618582
Database identifiers
- CAS
136918-66-6- PubChem CID
- 2828082
- EC Number
- 987-839-4
- Nikkaji
- J3.414.551B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- InChI
- InChI=1S/C14H14ClNO3/c1-3-16(4-2)9-5-6-10-12(7-9)19-14(18)11(8-17)13(10)15/h5-8H,3-4H2,1-2H3
- InChIKey
- CYXXVTLWYIGJJW-UHFFFAOYSA-N
- SMILES
- C1(=O)OC2=CC(N(CC)CC)=CC=C2C(Cl)=C1C=O
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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