Basic information
- CAS
57543-40-5- Standard SMILES
COc1ccc2c(c1)C=C(C=O)CO2- InChIKey
BTRAXMCPHYMXAL-UHFFFAOYSA-N- Molecular formula
- C11H10O3
- Average molar mass
- 190.19 g/mol
- Monoisotopic mass
- 190.06299418
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3-carboxaldehyde, 6-methoxy-
- IUPAC
- 6-methoxy-2H-chromene-3-carbaldehyde
- English name
- 6-Methoxy-2H-chromene-3-carbaldehyde
- Molecular formula
- C11H10O3
- Molecular weight
- 190.2
Names & synonyms
6-Methoxy-2H-1-benzopyran-3-carboxaldehyde2H-1-BENZOPYRAN-3-CARBOXALDEHYDE, 6-METHOXY-BRN 1640405DTXSID80206164RefChem:268316DTXCID801286555-18-01-00436 (Beilstein Handbook Reference)6-Methoxy-2H-chromene-3-carbaldehyde57543-40-5MFCD01662418F2121-00096-Methoxy-2H-chromene-3-carboxaldehyde
Show more names
CHEMBRDG-BB 4005937IFLAB-BB F2121-00096-METHOXY-4H-CHROMENE-2-CARBALDEHYDE6-Methoxy-2H-chromene-3-carboxyaldehyde6-methoxy-2h-1-benzopyran-3-carboxaldehyd
6-Methoxy-2H-1-benzopyran-3-carbaldehyde2H-1-Benzopyran-3-carboxaldehyde,6-methoxy-SCHEMBL8627404CHEMBL3125828BTRAXMCPHYMXAL-UHFFFAOYSA-NSMSSF-0045264AKOS0002968696-methoxy-2 h-chromene-3-carbaldehyde
Database identifiers
- CAS
57543-40-5- PubChem CID
- 42430
- DTXSID
DTXSID80206164- ChEMBL
CHEMBL3125828
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 48 · 48-49 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
- Boiling point
- 338.2 · 338.2±42.0 °C(Predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS08,GHS02
- Signal word
- Danger
- Hazard statements
- 314 · H314-H371-H370-H372-H341-H351-H226
- Precautionary statements
- 501 · P501-P260-P270-P202-P240-P210-P233-P201-P243-P241-P242-P264-P280-P370+P378-P308+P311-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2932990090 · 2932990090
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
- hs_code
- 2932990090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS08,GHS02
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H314-H371-H370-H372-H341-H351-H226
- Precautionary statements
- P501-P260-P270-P202-P240-P210-P233-P201-P243-P241-P242-P264-P280-P370+P378-P308+P311-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Chemistry & industry
Suppliers8 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海文嘉生物医药科技有限公司15001899038 15001899038 · [email protected]
上海智乾生物科技有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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