Basic information
- CAS
19477-73-7- Standard SMILES
O=C1OCc2ccc(Br)cc21- InChIKey
BELKVKMBIAENSA-UHFFFAOYSA-N- Molecular formula
- C8H5BrO2
- Average molar mass
- 213.03 g/mol
- Monoisotopic mass
- 211.9472915
Names & identifiers
- Preferred name
- 6-Bromo-1,3-dihydro-2-benzofuran-1-one
- IUPAC
- 6-bromo-3H-2-benzofuran-1-one
- English name
- 6-BROMO-3 H-ISOBENZOFURAN-1-ONE
- Molecular formula
- C8H5BrO2
- Molecular weight
- 213.03
Names & synonyms
6-bromo-1,3-dihydro-2-benzofuran-1-oneRefChem:540526675-315-56-bromo-3H-isobenzofuran-1-one19477-73-76-bromoisobenzofuran-1(3h)-one6-Bromophthalide6-bromo-3 h-isobenzofuran-1-one6-bromo-3H-2-benzofuran-1-one6-Bromo-2-benzofuran-1(3H)-one1(3H)-Isobenzofuranone, 6-bromo-MFCD03428561
Show more names
Roxadustat Impurity 126-bromo-1(3H)-isobenzofuanone6-bromo-1H-isobenzofuran-1-one1(3H)-Isobenzofuranone, 6-bromo-, 97%min
Roxadustat Impurity 9F1967-1689DTXSID802942686-Bromo-2-benzofuran-1(3H)-one #AKOS015835929AC-23868Z1258932820BCP20630
Database identifiers
- CAS
19477-73-7- PubChem CID
- 262235
- DTXSID
DTXSID80294268- EC Number
- 675-315-5
- Nikkaji
- J3.306.301F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 99.5 °C · 99.5 °C
- Boiling point
- 362.4 · 362.4±42.0 °C(Predicted)
- Density
- 1.742 · 1.742±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/C8H5BrO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2
- InChIKey
- BELKVKMBIAENSA-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC(Br)=C2)CO1
- Symbol(GHS)
- 7 · GHS07,GHS03
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H272
- Precautionary statements
- 501 · P501-P220-P210-P221-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xn
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 29322090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS03
- hazard_code
- Xn
- safety_code
- 24/25
- Hazard statements
- H315-H319-H272
- Precautionary statements
- P501-P220-P210-P221-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州朗欧生物科技有限公司15876533741 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
河南多贝化工有限公司
Related reactions
16 records
Compound notes
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