Basic information
- CAS
58573-94-7- Standard SMILES
CCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1- InChIKey
XVROSBHWACAQRL-UHFFFAOYSA-N- Molecular formula
- C20H24O2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.17763001
Names & identifiers
- Preferred name
- 4-(4-Heptylphenyl)benzoic Acid
- IUPAC
- 4-(4-heptylphenyl)benzoic acid
- English name
- 4-(4'-n-Heptylphenyl)benzoic acid
- Molecular formula
- C20H24O2
- Molecular weight
- 296.4
Names & synonyms
58573-94-74-(4-Heptylphenyl)benzoic Acid4-Heptyl-4'-carboxybiphenyl4'-HEPTYL-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID4-(4-n-heptylphenyl)benzoic acid4-(4'-n-heptylphenyl)benzoic acidMFCD00143231CHEMBL3716844-Heptylbiphenyl-4'-carboxylic Acid4-Heptyl-4'-biphenylcarboxylic acidSCHEMBL4174144SCHEMBL10865792
Show more names
RARECHEM AL BO 0681p-Heptylbibenzoic acid4-Carboxy-4''-heptylbiphenyl4-(4-Heptylphenyl)benzoicAcid>4-(4'-n-Heptylphenyl)benzoic acid4-N-HEPTYLBIPHENYL-4'-CARBOXYLIC ACID
DTXSID609741324'-Heptyl-4-biphenylcarboxylic acidBDBM50413267SBB0591704-[4-(n-heptyl)phenyl]benzoic acidAKOS015839903FH617934-n-heptyl-biphenyl-4'-carboxylic acid
Database identifiers
- CAS
58573-94-7、92758-27-5- PubChem CID
- 3086355
- DTXSID
DTXSID60974132- ChEMBL
CHEMBL371684- EC Number
- 679-939-9
- Nikkaji
- J256.563C
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Boiling point
- 449.9 · 449.9±34.0 °C(Predicted)
- Density
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- solubility
- almost transparency in hot EtOH
- form
- powder to crystal
- pka
- 4.23 · 4.23±0.10(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22)
- InChIKey
- XVROSBHWACAQRL-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(CCCCCCC)C=C2)=CC=C(C(O)=O)C=C1
- CAS DataBase Reference
- 58573 · 58573-94-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
- 2916.31 · 2916.31.5000
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
- 2916.31.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Suppliers32 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海博熠生物医药科技有限公司021-021-54331997 18321536537 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
石家庄晔晟化工科技有限公司18031147013 18031147013 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
石家庄渡世生物医药科技有限公司13102890206 18032066297
Aladdin Scientific[email protected]
上海锐恩生物科技有限公司21-64985567 13524767716 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
6 records
Compound notes
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