5-(4-Methylphenyl)-2-furoic acid
Basic information
- CAS
52938-98-4- Standard SMILES
Cc1ccc(-c2ccc(C(=O)O)o2)cc1- InChIKey
YZDIEQFFXQUBRM-UHFFFAOYSA-N- Molecular formula
- C12H10O3
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.06299418
Names & identifiers
- Preferred name
- 5-(4-Methylphenyl)-2-furoic acid
- IUPAC
- 5-(4-methylphenyl)furan-2-carboxylic acid
- English name
- 5-(4-Methylphenyl)-2-furoic acid
- Molecular formula
- C12H10O3
- Molecular weight
- 202.21
Names & synonyms
5-(4-Methylphenyl)-2-furoic acidRefChem:530466624-732-052938-98-45-(p-Tolyl)furan-2-carboxylic acid5-(4-Methylphenyl)furan-2-carboxylic acidMFCD004487815-p-Tolylfuran-2-carboxylic acid5-(p-tolyl)pyromucic acidAKOS002680290SB61309AS-47813
Show more names
AKOS BAR-0046CHEMBRDG-BB 44019485-P-TOLYL-FURAN-2-CARBOXYLIC ACID5-(4-Tolyl)-furane-2-carboxylic acid5-(4-Methylphenyl)-2-furoic acid 97%5-(4-methylphenyl)-2-furancarboxylic acid5-(4-methylphenyl)-2-furoic acid(SALTDATA: FREE)5-(4-Methylphenyl)furan-2-carboxylic acid, 2-Carboxy-5-(4-methylphenyl)furan, 4-(5-Carboxyfur-2-yl)toluene
5-(4-Methylphenyl)-2-furoic acid, 97%CS-0281273EN300-336774F16231FT-06401192-Furancarboxylic acid, 5-(4-methylphenyl)-SCHEMBL242273CHEMBL3968454
Database identifiers
- CAS
52938-98-4- PubChem CID
- 854664
- DTXSID
DTXSID10357597- ChEMBL
CHEMBL3968454- EC Number
- 624-732-0
- Nikkaji
- J2.321.182C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 179 · 179-181 °C (lit.)
- Boiling point
- 374.6 · 374.6±30.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.21 · 3.21±0.10(Predicted)
- form
- solid
- Appearance
- Light yellow to yellow Solid
- InChI
- 1S/C12H10O3/c1-8-2-4-9(5-3-8)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)
- InChIKey
- YZDIEQFFXQUBRM-UHFFFAOYSA-N
- SMILES
- Cc1ccc(cc1)-c2ccc(o2)C(O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
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 39 reports by companies from 2 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2932190090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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