Basic information
- CAS
52938-95-1- Standard SMILES
CC(=O)c1ccc(-c2ccc(C(=O)O)o2)cc1- InChIKey
LDTWCUABWGGMNW-UHFFFAOYSA-N- Molecular formula
- C13H10O4
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.0579088
Names & identifiers
- Preferred name
- 5-(4-Acetylphenyl)furan-2-carboxylic acid
- IUPAC
- 5-(4-acetylphenyl)furan-2-carboxylic acid
- English name
- 5-(4-Acetylphenyl)-2-furoic acid
- Molecular formula
- C13H10O4
- Molecular weight
- 230.22
Names & synonyms
5-(4-acetylphenyl)furan-2-carboxylic AcidRefChem:530147847-464-852938-95-15-(4-acetylphenyl)-2-furoic acidMFCD063361125-(4-acetylphenyl)-2-Furancarboxylic acidSCHEMBL2557432DTXSID40366617AKOS008963623SB61774NCGC00332302-01
Show more names
SY132624DB-071607CS-02214422-Furancarboxylic acid, 5-(4-acetylphenyl)-EN300-09150G23302AB01326265-02F643973
Database identifiers
- CAS
52938-95-1- PubChem CID
- 2118136
- DTXSID
DTXSID40366617- EC Number
- 847-464-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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]
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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