Basic information
- CAS
18110-71-9- Standard SMILES
COc1ccc(-c2ccccc2C(=O)O)cc1- InChIKey
IPLPMLYQQDEHHD-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)benzoic acid
- IUPAC
- 2-(4-methoxyphenyl)benzoic acid
- English name
- 4'-Methoxy-biphenyl-2-carboxylic acid
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
18110-71-92-(4-Methoxyphenyl)benzoic acid4'-Methoxy-[1,1'-biphenyl]-2-carboxylic acid4'-methoxy[1,1'-biphenyl]-2-carboxylic acidMFCD034264694'-Methoxy-[1,1'-biphenyl]-2-carboxylicacid4'-Methoxy-biphenyl-2-carboxylic acid4'-methoxy-2-biphenylcarboxylic acid[1,1'-Biphenyl]-2-carboxylic acid, 4'-methoxy-2-Biphenyl-(4'-methoxy)carboxylic acid4'-methoxybiphenyl-2-carboxylic acidNSC105633
Show more names
AKOS BAR-0251TIMTEC-BB SBB0074914'-Methoxy-[1,1'-biphenyl]-2-carboxylic1,1'-Biphenyl]-2-carboxylic acid, 4'-methoxy-
SCHEMBL269580CHEMBL4100471DTXSID402958172-(4-methoxyphenyl)-benzoic acidSBB007491AKOS002683265AC-6467NSC-105633
Database identifiers
- CAS
18110-71-9- PubChem CID
- 266830
- DTXSID
DTXSID40295817- ChEMBL
CHEMBL4100471- EC Number
- 672-462-7
- Nikkaji
- J325.075J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 141 · 141-143 °C
- Boiling point
- 379.3 · 379.3±25.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 3.87 · 3.87±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2918290090 · 2918290090
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
- hs_code
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers18 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
Related reactions
4 records
Compound notes
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