Basic information
- CAS
6926-84-7- Standard SMILES
COC(=O)c1ccccc1-c1ccccc1C(=O)O- InChIKey
ZDVLTXGRPRUSHK-UHFFFAOYSA-N- Molecular formula
- C15H12O4
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.07355886
Names & identifiers
- Preferred name
- 2-(2-(Methoxycarbonyl)phenyl)benzoic acid
- IUPAC
- 2-(2-methoxycarbonylphenyl)benzoic acid
- English name
- 1,1'-Biphenyl-2,2'-dicarboxylic acid 2-methyl ester
- Molecular formula
- C15H12O4
- Molecular weight
- 256.25
Names & synonyms
2-[2-(methoxycarbonyl)phenyl]benzoic acid2-(2-(Methoxycarbonyl)phenyl)benzoic acidRefChem:453135862-929-56926-84-72-(2-methoxycarbonylphenyl)benzoic acidNSC116234diphenic acid monomethyl esterSCHEMBL64371632'-(methoxycarbonyl)-[1,1'-biphenyl]-2-carboxylic acidDTXSID90988984GAA92684
Show more names
1,1'-Biphenyl-2,2'-dicarboxylic acid 2-methyl ester
MFCD00223287AKOS033643682NSC-1162342-[2-(methoxycarbonyl)phenyl]benzoicacidSY149029CS-0225432EN300-123843G23002
Database identifiers
- CAS
6926-84-7- PubChem CID
- 419554
- DTXSID
DTXSID90988984- EC Number
- 862-929-5
- Nikkaji
- J325.061J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 110 · 110-111 °C
- Boiling point
- 423.2 · 423.2±28.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- pka
- 3.75 · 3.75±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · 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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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