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3-(1H-indol-5-yl)benzoic Acid

HCID 4135877
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
886363-16-2
Standard SMILES
O=C(O)c1cccc(-c2ccc3[nH]ccc3c2)c1
InChIKey
VKHHKQSCGXEKEE-UHFFFAOYSA-N
Molecular formula
C15H11NO2
Average molar mass
237.258 g/mol
Monoisotopic mass
237.07897859

Names & identifiers

Preferred name
3-(1H-indol-5-yl)benzoic Acid
IUPAC
3-(1H-Indol-5-yl)benzoic acid
English name
3-(5'-Indole)benzoic acid
Molecular formula
C15H11NO2
Molecular weight
237.25

Names & synonyms

3-(5'-INDOLE)BENZOIC ACID3-(1H-Indol-7-yl)benzoic acid3-(1H-Indol-6-yl)benzoic acid3-(1H-indol-3-yl)benzoic acidBenzoic acid, 3-(1H-indol-5-yl)-REF DUPL: 3-(5'-Indole)benzoic acid

Database identifiers

CAS
886363-16-2
PubChem CID
4135877
DTXSID
DTXSID20399741
ChEMBL
CHEMBL4167738

Properties

Physicochemical properties

Boiling point
523.9 · 523.9±33.0 °C(Predicted)
Density
1.32 · 1.320±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
4.16 · 4.16±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

Uses3-(1H-Indol-5-yl)benzoic acid

Suppliers13 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [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]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
湖南秉航新材料有限公司85521272 18932438858 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
18210857532 18210857532 · [email protected]