2-Fluoro-5-methoxyphenylboronic acid

HCID 4157211
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Basic information

CAS
406482-19-7
Standard SMILES
COc1ccc(F)c(B(O)O)c1
InChIKey
IPTZOWYBCLEBOE-UHFFFAOYSA-N
Molecular formula
C7H8BFO3
Average molar mass
169.95 g/mol
Monoisotopic mass
170.05505274

Names & identifiers

Preferred name
2-Fluoro-5-methoxyphenylboronic acid
IUPAC
(2-fluoro-5-methoxyphenyl)boronic acid
English name
2-Fluoro-5-methoxyphenylboronic acid
Molecular formula
C7H8BFO3
Molecular weight
169.95

Names & synonyms

2-Fluoro-5-methoxyphenylboronic acid406482-19-7(2-fluoro-5-methoxyphenyl)boronic acidDTXSID60400047RefChem:472483DTXCID70350903689-882-1MFCD04974115BORONIC ACID, (2-FLUORO-5-METHOXYPHENYL)-SCHEMBL931782B-(2-FLUORO-5-METHOXYPHENYL)-BORONIC ACID2-FLUORO-5-METHOXYBENZENEBORONIC ACID
Show more names
3-Borono-4-fluoroanisole2-Fluoro-5-methoxyphenylboronicaci2-Fluoro-5-methoxyphenylboronic acid >=95%Boronic acid, B-(2-fluoro-5-Methoxyphenyl)-2-Fluoro-5-methoxyphenylboronic acid, 98.5%2-fluoro-5-methoxyphenylboronic acid, 98%min2-Fluoro-5-methoxyphenylboronic acid - [F3230]Boronic acid, (2-fluoro-5-methoxyphenyl)- (9CI)
(2-fluoro-5-methoxy-phenyl)boronic Acid2-FLUORO-5-METHOXYPHENYLBORONICACID2-fluoro-5met4TA7GA3D6QSCHEMBL294546192-fluoro-5methoxyphenylboronic acid5-methoxy-2-fluorophenylboronic acidSBB071214

Database identifiers

CAS
406482-19-7
PubChem CID
4157211
DTXSID
DTXSID60400047
UNII
4TA7GA3D6Q
EC Number
689-882-1
Nikkaji
J2.687.189A

Properties

Computed structural properties

Topological polar surface area
49.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
194 · 194-196 °C (lit.)
Boiling point
333.1 · 333.1±52.0 °C(Predicted)
Density
1.26 · 1.26±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
7.9 · 7.90±0.58(Predicted)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29319090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Usessuzuki reaction

UsesReactant involved in:Friedel-Crafts alkylation of hydronaphthalenesSuzuki-Miyaura cross-coupling reactionsSynthesis of 9,10-diarylanthracenes for use as molecular switchesCross-coupling with carbazolyl or aryl halides

Suppliers100 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

110 records
New reaction record

Compound notes

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