(4-octylphenyl)boronic Acid

HCID 4197992
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Basic information

CAS
133997-05-4
Standard SMILES
CCCCCCCCc1ccc(B(O)O)cc1
InChIKey
HUKDAABRKOWPNA-UHFFFAOYSA-N
Molecular formula
C14H23BO2
Average molar mass
234.14 g/mol
Monoisotopic mass
234.1791101

Names & identifiers

Preferred name
(4-octylphenyl)boronic Acid
IUPAC
(4-octylphenyl)boronic acid
English name
4-(N-OCTYL)BENZENEBORONIC ACID
Molecular formula
C14H23BO2
Molecular weight
234.14

Names & synonyms

(4-octylphenyl)boronic Acid133997-05-44-(n-Octyl)benzeneboronic acid4-octylphenylboronic acidMFCD04039034(4-octylphenyl)boronicAcidp-n-octylphenylboronic acidSCHEMBL1021739DTXSID50400718HUKDAABRKOWPNA-UHFFFAOYSA-NIFA99705AKOS004116143
Show more names
AKOS BRN-01614-octylbenzeneboronic acid4-N-OCTYLPHENYLBORONIC ACIDBoronic acid, B-(4-octylphenyl)-4-(n-Octyl)benzeneboronic acid 97%
DS-18678DB-063005CS-0178448C72354F623349

Database identifiers

CAS
133997-05-4
PubChem CID
4197992
DTXSID
DTXSID50400718

Properties

Computed structural properties

Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
17

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
280 · P280-P304+P340-P305+P351+P338
Hazard Codes
Xi
Hazard Note
Irritant

Safety & regulation

Safety data

hs_code
2931900090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H315-H319-H335

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers26 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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