Basic information
- CAS
4281-40-7- Standard SMILES
COc1cc2oc(=O)cc(C)c2cc1OC- InChIKey
GBYDSYPGGDKWGZ-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Overview
6,7-dimethoxy-4-methylchromen-2-one is a member of coumarins.
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-4-methylcoumarin
- IUPAC
- 6,7-dimethoxy-4-methylchromen-2-one
- English name
- 6,7-Dimethoxy-4-methylcoumarin
- Molecular formula
- C12H12O4
- Molecular weight
- 220.22
Names & synonyms
6,7-Dimethoxy-4-methylcoumarin4-Methyl-6,7-dimethoxycoumarin2H-1-Benzopyran-2-one, 6,7-dimethoxy-4-methyl-Coumarin, 6,7-dimethoxy-4-methyl-6,7-dimethoxy-4-methyl-2H-1-benzopyran-2-oneM95TSC752BNSC 688797NSC-688797UNII-M95TSC752BDTXSID90195494RefChem:103857DTXCID00117985
Show more names
TIMTEC-BB SBB0063915,6-Dimethoxy-4-methylchromoneDIMETHOXY-4-METHYLCOUMARIN,6,7-6,7-Dimethoxy-4-methylcoumarin>6,7-Dimethoxy-4-methylcoumarin 97%DIMETHOXY-4-METHYLCOUMARIN,6,7-(RG)
GBYDSYPGGDKWGZ-UHFFFAOYSA-N4281-40-76,7-Dimethoxy-4-methyl-2H-chromen-2-one6,7-dimethoxy-4-methylchromen-2-oneMFCD00012338NSC6887976,7-dimethoxy-4-methyl-chromen-2-oneST038567
Database identifiers
- CAS
4281-40-7- PubChem CID
- 77966
- DTXSID
DTXSID90195494
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 136 · 136-139 °C (lit.)
- Boiling point
- 374.5 · 374.5±42.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- solubility
- DMSO: soluble
- form
- powder to crystal
- color
- White to Orange to Green
- λmax
- 340 nm · 340nm(MeOH)(lit.)
- BRN
- 189644 · 189644
- InChI
- 1S/C12H12O4/c1-7-4-12(13)16-9-6-11(15-3)10(14-2)5-8(7)9/h4-6H,1-3H3
- InChIKey
- GBYDSYPGGDKWGZ-UHFFFAOYSA-N
- SMILES
- COc1cc2OC(=O)C=C(C)c2cc1OC
- CAS DataBase Reference
- 4281 · 4281-40-7(CAS DataBase Reference)
- FDA UNII
- 95 TSC752B · M95TSC752B
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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
- F
- 8
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2932209088
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses6,7-Dimethoxy-4-methylcoumarin (cas# 4281-40-7) is a compound useful in organic synthesis.
Suppliers54 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
1 records
Compound notes
Loading…