Completing data — usually done within a minute
Basic information
- CAS
4940-39-0- Standard SMILES
O=C(O)c1cc(=O)c2ccccc2o1- InChIKey
RVMGXWBCQGAWBR-UHFFFAOYSA-N- Molecular formula
- C10H6O4
- Average molar mass
- 190.154 g/mol
- Monoisotopic mass
- 190.02660867
Names & identifiers
- Preferred name
- Chromocarb
- IUPAC
- 4-Oxo-4H-1-benzopyran-2-carboxylic acid
- English name
- 4-Oxo-4H-1-benzopyran-2-carboxylic acid
- Molecular formula
- C10H6O4
- Molecular weight
- 190.15
Names & synonyms
CHROMOCARBChromone-2-carboxilic acid4-OXO-4H-CHROMENE-2-CARBOXYLIC ACIDlp-1atremonchromocarbeLP-1 Cells LineTIMTEC-BB SBB003660LABOTEST-BB LT00454887chromonecarboxylicacid
Database identifiers
- CAS
4940-39-0- PubChem CID
- 2741
- DTXSID
DTXSID6045878- ChEMBL
CHEMBL83628- ChEBI
CHEBI:113552- UNII
- FY38S0790W
- EC Number
- 225-583-0
- Nikkaji
- J8.787D
Properties
Physicochemical properties
- Melting point
- 260 °C · 260 °C (dec.)(lit.)
- Boiling point
- 285.64 °C · 285.64°C (rough estimate)
- Density
- 1.3366 · 1.3366 (rough estimate)
- refractive index
- 1.528 · 1.5280 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- alcohol: soluble
- form
- Powder
- pka
- 2.28 · 2.28±0.20(Predicted)
- color
- White to beige
- Water Solubility
- sparingly soluble
- Merck
- 14 · 14,2237
- BRN
- 146442 · 146442
- InChI
- InChI=1S/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13)
- InChIKey
- RVMGXWBCQGAWBR-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)OC2=CC=CC=C2C(=O)C=1
- CAS DataBase Reference
- 4940 · 4940-39-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 38 S0790W · FY38S0790W
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- DJ2476000
- hs_code
- 29329990
- Toxicity
- LD50 intraperitoneal in mouse: 585mg/kg
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Usesvascular protectant
Uses4-oxo-4H-1-Benzopyran-2-carboxylic Acid acts as an inhibitor of monoamine oxidase A & B. Also functions as a novel type of tyrosine phosphatase 1B inhibitor in studies, due to a structure derived from formylchromone.
UsesChromone-2-carboxylic acid is used in the cyclic form 3-oxopyrazolidino[4,52, 3]-chroman-4-one, gives the azide of chromone-2-carboxylic acid, the curtius rearrangement of which is used to synthesize a number of 2-acylaminochromones and it is an orally active antiallergic agent.
General DescriptionNasal absorption of 4-oxo-4H-1-benzopyran-2-carboxylic acid has been investigated in the male Wistar rat.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
16 records
Compound notes
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