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2-(4-Ethylbenzoyl)benzoic acid

HCID 70852
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1151-14-0
Standard SMILES
CCc1ccc(C(=O)c2ccccc2C(=O)O)cc1
InChIKey
JZFDKGFWNSQAHU-UHFFFAOYSA-N
Molecular formula
C16H14O3
Average molar mass
254.28 g/mol
Monoisotopic mass
254.0942943

Names & identifiers

Preferred name
2-(4-Ethylbenzoyl)benzoic acid
IUPAC
2-(4-ethylbenzoyl)benzoic acid
English name
2-(4-Ethylbenzoyl)benzoic acid
Molecular formula
C16H14O3
Molecular weight
254.28

Names & synonyms

2-(4-Ethylbenzoyl)benzoic acid1151-14-0EINECS 214-566-3DTXSID50150963RefChem:84396DTXCID5073454214-566-3Benzoic acid, 2-(4-ethylbenzoyl)-MFCD000202882-[(4-ethylphenyl)carbonyl]benzoic acid2-(4-ETHYLBENZOYL)BENZOICACIDCambridge id 5212002
Show more names
o-(p-ethylbenzoyl)benzoic acid
4'-ETHYL BENZOPHENONE-2-CARBOXYLIC ACIDOprea1_1661412-(Eethylbenzoyl)benzoic acidSCHEMBL5314074ortho-(4-ethylbenzoyl)benzoic acidSBB076367STK367598AKOS004908138

Database identifiers

CAS
1151-14-0
PubChem CID
70852
DTXSID
DTXSID50150963
EC Number
214-566-3
Nikkaji
J22.381F

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
329

Physicochemical properties

Density
1.194 · 1.194
LogP
3.433 · 3.433 (est)

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 · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)

Chemistry & industry

Applications

Uses2-(4-ETHYLBENZOYL)BENZOIC ACID is widely used as a working carrier for hydrogen peroxide, an intermediate for dyes, and a raw material for photosensitive materials.

Suppliers22 total

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
西安凯美科新材料有限公司13720451009 13720451009 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
北京康睿智科技有限公司18911799491 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Shaanxi Dideu New Materials Co. Ltd

Related reactions

7 records
New reaction record
HRID 134997 reaction equation
HRID 134997As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 150815 reaction equation
HRID 150815As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 414469 reaction equation
HRID 414469As productuspto-grants-1988_12
HRID 414470 reaction equation
HRID 414470As reactantuspto-grants-1988_12
HRID 414471 reaction equation
HRID 414471As reactantuspto-grants-1988_12
HRID 2140621 reaction equation
HRID 2140621As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2413369 reaction equation
HRID 2413369As productuspto-grants-1985_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
18192503167 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
重庆卡兰医药有限公司[email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
苏州众联汇创生物医药有限公司13222205691 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]