Basic information
- CAS
6272-40-8- Standard SMILES
O=C(c1ccccc1)c1cc2ccccc2o1- InChIKey
DZRJNLPOTUVETG-UHFFFAOYSA-N- Molecular formula
- C15H10O2
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.06807956
Names & identifiers
- Preferred name
- 2-Benzoylbenzofuran
- IUPAC
- 1-benzofuran-2-yl(phenyl)methanone
- English name
- 2-Benzoylbenzofurane
- Molecular formula
- C15H10O2
- Molecular weight
- 222.24
Names & synonyms
6272-40-82-benzoylbenzofuranMethanone, 2-benzofuranylphenyl-2-benzofuranylphenylMethanoneH1OLK6F7UXBenzofuran, 2-benzoyl-UNII-H1OLK6F7UXNSC 37429NSC-37429DTXSID102118022-BENZOFURANYL PHENYL KETONERefChem:85570
Show more names
SBB006333BAS 00547434ARONIS001385MLS000029627SMR000009134ZINC00075321CBDivE_000085Oprea1_104896Oprea1_386384
DTXCID00134293DZRJNLPOTUVETG-UHFFFAOYSA-Nbenzofuran-2-yl(phenyl)methanone1-Benzofuran-2-yl(phenyl)methanone2-benzoylbenzofurane2-benzoyl-1-benzofuranMFCD00540083Ketone, 2-benzofuranyl phenyl
Database identifiers
- CAS
6272-40-8- PubChem CID
- 95808
- DTXSID
DTXSID10211802- ChEMBL
CHEMBL1342446- UNII
- H1OLK6F7UX
- EC Number
- 108-776-3
- Nikkaji
- J81.172F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 91 °C · 91°C
- Boiling point
- 360 °C · 360°C (estimate)
- Density
- 1.1404 · 1.1404 (rough estimate)
- refractive index
- 1.66 · 1.6600 (estimate)
- form
- solid
- InChI
- 1S/C15H10O2/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h1-10H
- InChIKey
- DZRJNLPOTUVETG-UHFFFAOYSA-N
- SMILES
- O=C(C1=CC=CC=C1)C2=CC3=CC=CC=C3O2
- FDA UNII
- 1 OLK6F7UX · H1OLK6F7UX
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- WGK Germany
- 3 · WGK 3
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
Related reactions
6 records
Compound notes
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