Basic information
- CAS
50615-16-2- Standard SMILES
Cc1cc2c(o1)CCCC2=O- InChIKey
DFYYBHIUTDAALI-UHFFFAOYSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
- Monoisotopic mass
- 150.06807956
Names & identifiers
- Preferred name
- 6,7-Dihydro-2-methyl-4(5H) benzofuranone
- IUPAC
- 2-methyl-6,7-dihydro-5H-1-benzofuran-4-one
- English name
- 2-methyl-6,7-dihydro-1-benzofuran-4(5H)-one
- Molecular formula
- C9H10O2
- Molecular weight
- 150.17
Names & synonyms
50615-16-26,7-Dihydro-2-methyl-4(5H) benzofuranoneDTXSID90423628RefChem:1073581DTXCID103744662-methyl-6,7-dihydro-1-benzofuran-4(5H)-one2-Methyl-6,7-dihydrobenzofuran-4(5H)-one2-methyl-6,7-dihydro-5H-1-benzofuran-4-oneMFCD080597722-Methyl-6,7-dihydro-5H-benzofuran-4-oneSCHEMBL10426958AKOS000320281
Show more names
METHYL MERCAPTAN SODIUM SALTSODIUM METHYL SULFIDESODIUM METHYL MERCAPTIDEMETHANETHIOL SODIUM SALT4(5H)-Benzofuranone, 6,7-dihydro-2-methyl-2-Methyl-4,5,6,7-tetrahydro-4-benzofuranone2-methyl-6,7-dihydro-1-benzofuran-4(5H)-one(SALTDATA: 1.5H2O)
AC-13105BS-379516,7-Dihydro-2-methylbenzo(b)furan-4(5H)-one2-methyl-4-oxo-4,5,6,7-tetrahydrobenzo-furanInChI=1/C9H10O2/c1-6-5-7-8(10)3-2-4-9(7)11-6/h5H,2-4H2,1H
Database identifiers
- CAS
50615-16-2- PubChem CID
- 6421664
- DTXSID
DTXSID90423628- Nikkaji
- J806.369I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 104 °C · 104 °C(Press: 2 Torr)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- Flash point
- 27 °C · 27 °C
- CAS DataBase Reference
- 50615 · 50615-16-2(CAS DataBase Reference)
- Hazard Codes
- C
- Risk Statements
- 31 · 31-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3263 · UN 3263 8/PG 3
- WGK Germany
- 3 · 3
- F
- 1 · 1-34-10-13
Safety & regulation
Safety data
- F
- 1-34-10-13
- wgk
- 3
- ridadr
- UN 3263 8/PG 3
- risk_code
- 31-34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
Chemistry & industry
Suppliers8 total
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
武汉弘德悦欣医药科技有限公司027-83850116 18164090116 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Huadong Medicine (Xi'an)Bodyguard Pharmaceutical Co.,Ltd.+86-029-86185165 +86-18629664246 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
Related reactions
2 records
Compound notes
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