Basic information
- CAS
10242-10-1- Standard SMILES
O=C(O)c1cc2cc(Cl)ccc2o1- InChIKey
JETRXAHRPACNMA-UHFFFAOYSA-N- Molecular formula
- C9H5ClO3
- Average molar mass
- 196.58 g/mol
- Monoisotopic mass
- 195.9927217
Names & identifiers
- Preferred name
- 5-Chloro-1-benzofuran-2-carboxylic acid
- IUPAC
- 5-chloro-1-benzofuran-2-carboxylic acid
- English name
- 5-CHLOROBENZOFURAN-2-CARBOXYLIC ACID
- Molecular formula
- C9H5ClO3
- Molecular weight
- 196.59
Names & synonyms
5-chloro-1-benzofuran-2-carboxylic acid5-CHLORO-2-BENZOFURANCARBOXYLIC ACIDRefChem:534263674-048-15-Chlorobenzofuran-2-carboxylic acid10242-10-15-chlorobenzo[b]furan-2-carboxylic acidMFCD000605122-BENZOFURANCARBOXYLIC ACID, 5-CHLORO-5-Chloro-benzofuran-2-carboxylic acid2-Benzofurancarboxylicacid, 5-chloro-SCHEMBL705754
Show more names
RT 63ASISCHEM D19360BUTTPARK 40\07-65ASINEX-REAG BAS 127193275-Chlorobenzofuran-2-carboxylic Acid >
DTXSID403590895-Chlorobenzo[b]furan-2 carboxylic AcidSY049517Z1043412005-Chlorocoumarilic AcidFT-0636662CHEMBL412667SCHEMBL29526778
Database identifiers
- CAS
10242-10-1- PubChem CID
- 937838
- DTXSID
DTXSID40359089- ChEMBL
CHEMBL412667- EC Number
- 674-048-1
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 275 °C · 275°C (subl.)
- Boiling point
- 348.8 · 348.8±22.0 °C(Predicted)
- Density
- 1.502 · 1.502
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 2.94 · 2.94±0.30(Predicted)
- color
- White to Light yellow
- λmax
- 301 nm · 301nm(EtOH)(lit.)
- CAS DataBase Reference
- 10242 · 10242-10-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29321900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers91 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州稀亚生物科技有限公司13775267187
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
34 records
Compound notes
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