Basic information
- CAS
1151-15-1- Standard SMILES
COc1ccc(C(=O)c2ccccc2C(=O)O)cc1- InChIKey
UIUCGMLLTRXRBF-UHFFFAOYSA-N- Molecular formula
- C15H12O4
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.07355886
Overview
4'-Methoxybenzophenone-2-carboxylic acid is a member of benzophenones.
Names & identifiers
- Preferred name
- O-(p-Anisoyl)benzoic acid
- IUPAC
- 2-(4-methoxybenzoyl)benzoic acid
- English name
- 2-(4-Methoxy-benzoyl)-benzoic acid
- Molecular formula
- C15H12O4
- Molecular weight
- 256.25
Names & synonyms
2-(4-Methoxybenzoyl)benzoic acid1151-15-1o-(p-Anisoyl)benzoic acidBenzoic acid, 2-(4-methoxybenzoyl)-o-(4-Methoxybenzoyl)benzoic acidNSC-289254'-Methoxy-2-benzoylbenzoic acidS-23/4692G674420EDTXSID40282944O-(P-ANISOYL)BENZOIC ACID [MI]RefChem:855173
Show more names
TIMTEC-BB SBB0069692-(4-Methoxybenzoyl)benzoic acid 95%Benzoic acid, 2- (4-methoxybenzoyl)-4'-(Hydroxymethyl)benzophenone-2-carboxylic acidJRH-05401, 2-(4-Methoxybenzoyl)-benzoic acid, 97%2-[(4-Methoxyphenyl)carbonyl]benzoic acid, 2-(4-Methoxybenzoyl)benzoic acid
DTXCID50234095630-234-42-(4-methoxybenzoyl)benzenecarboxylic acid2-(4-Methoxy-benzoyl)-benzoic acid2-[(4-methoxyphenyl)carbonyl]benzoic acidBenzoic acid, o-(p-anisoyl)-2-(4-Methoxybenzoyl)-Benzoic acid4'-Methoxybenzophenone-2-carboxylic acid
Database identifiers
- CAS
1151-15-1
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
- 331
Experimental & physicochemical properties
Melting Point148 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 147 · 147-148
- Boiling point
- 359.49 °C · 359.49°C (rough estimate)
- Density
- 1.239 · 1.2390 (rough estimate)
- refractive index
- 1.4872 · 1.4872 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 3.34 · 3.34±0.36(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 1151 · 1151-15-1(CAS DataBase Reference)
- FDA UNII
- 92 G674420E · 92G674420E
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P260-P271-P280
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Upstream & downstream products
Downstream products
Suppliers17 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Related reactions
4 records
Compound notes
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