Basic information
- CAS
114691-92-8- Standard SMILES
CC(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1- InChIKey
PDBQNVDCQVGALU-UHFFFAOYSA-N- Molecular formula
- C15H12O3
- Average molar mass
- 240.25 g/mol
- Monoisotopic mass
- 240.07864424
Names & identifiers
- Preferred name
- 4'-Acetyl-biphenyl-4-carboxylic acid
- IUPAC
- 4-(4-acetylphenyl)benzoic acid
- English name
- 4'-ACETYL-BIPHENYL-4-CARBOXYLIC ACID
- Molecular formula
- C15H12O3
- Molecular weight
- 240.25
Names & synonyms
4'-Acetyl-biphenyl-4-carboxylic acidRefChem:505956682-999-9114691-92-84-(4-acetylphenyl)benzoic Acid4'-acetyl-[1,1'-biphenyl]-4-carboxylic acid4'-acetyl-4-biphenylcarboxylic acidMFCD002308284'-acetyl[1,1'-biphenyl]-4-carboxylic acid[1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-4'-acetylbiphenyl-4-carboxylic acid[1,1'-Biphenyl]-4-carboxylicacid, 4'-acetyl-
Show more names
AKOS BAR-0212RARECHEM AL BE 13934’-Acetylbiphenyl-4-carboxylic Acid4-(4-Acetylphenyl)benzoic acid, 4'-(4-Carboxyphenyl)acetophenone, 4'-Acetyl-4-carboxybiphenyl
SCHEMBL1169167DTXSID20400765PDBQNVDCQVGALU-UHFFFAOYSA-NAKOS004114129PS-5894SY287718DB-060628CS-0155096
Database identifiers
- CAS
114691-92-8- PubChem CID
- 4199915
- DTXSID
DTXSID20400765
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- form
- Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H227
- Precautionary statements
- 501 · P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2916399090 · 2916399090
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]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H227
- Precautionary statements
- P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Chemistry & industry
Suppliers33 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
Related reactions
2 records
Compound notes
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