7-(Carboxymethoxy)-3-chloro-4-methylcoumarin
Basic information
- CAS
176446-74-5- Standard SMILES
Cc1c(Cl)c(=O)oc2cc(OCC(=O)O)ccc12- InChIKey
MXLOCRJKRZBQBM-UHFFFAOYSA-N- Molecular formula
- C12H9ClO5
- Average molar mass
- 268.65 g/mol
- Monoisotopic mass
- 268.0138511
Names & identifiers
- Preferred name
- 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin
- IUPAC
- 2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
- English name
- 7-(CARBOXYMETHOXY)-3-CHLORO-4-METHYLCOUMARIN
- Molecular formula
- C12H9ClO5
- Molecular weight
- 268.65
Names & synonyms
176446-74-57-(Carboxymethoxy)-3-chloro-4-methylcoumarinDTXSID30357534RefChem:310156DTXCID80308591631-501-82-((3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetic acid2-[(3-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetic acid2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acidAcetic acid, 2-[(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-Oprea1_385158SCHEMBL2113648
Show more names
TIMTEC-BB SBB003048
2-(3-chloro-4-methyl-2-oxo-chromen-7-yl)oxyacetic AcidMFCD00799502AKOS030574865AS-723207-(carboxymethoxy)-3-chloro-4-methyl-coumarinD95886F844657[(3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetic acid
Database identifiers
- CAS
176446-74-5- PubChem CID
- 854044
- DTXSID
DTXSID30357534- EC Number
- 631-501-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Melting point
- 209 · 209-212 °C(lit.)
- Boiling point
- 483.6 · 483.6±45.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 3.05 · 3.05±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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 38 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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