Basic information
- CAS
169772-63-8- Standard SMILES
O=C(O)c1occc1-c1ccccc1- InChIKey
FSFXNTONSBUTHK-UHFFFAOYSA-N- Molecular formula
- C11H8O3
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.04734411
Names & identifiers
- Preferred name
- 3-Phenyl-2-furoic acid
- IUPAC
- 3-phenylfuran-2-carboxylic acid
- English name
- 3-Phenyl-2-furoic acid
- Molecular formula
- C11H8O3
- Molecular weight
- 188.18
Names & synonyms
3-phenyl-2-furoic acid169772-63-8DTXSID10429268RefChem:281725DTXCID503801023-phenylfuran-2-carboxylic AcidMFCD07838422phenyl-2-furoic acid3-phenylfuran-2-carboxylicAcidSCHEMBL15497653-Phenyl-2-furancarboxylic acid3-phenyl-furan-2-carboxylic acid
Show more names
2-Furancarboxylic acid, 3-phenyl-
FSFXNTONSBUTHK-UHFFFAOYSA-NHMS1773I08UGA77263AKOS009075541AT40051DB-117359CS-0215337EN300-23475
Database identifiers
- CAS
169772-63-8- PubChem CID
- 8899708
- DTXSID
DTXSID10429268- EC Number
- 102-612-4
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 324.8 · 324.8±30.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- pka
- 3.15 · 3.15±0.20(Predicted)
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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海贤鼎生物科技有限公司4009209199 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
6 records
Compound notes
Loading…