3-(Trifluoromethyl)phenylboronic acid

HCID 2734388CAS 1423-26-3
Substructure searchFind similar structures

Basic information

Standard SMILES
OB(O)c1cccc(C(F)(F)F)c1
InChIKey
WOAORAPRPVIATR-UHFFFAOYSA-N
Molecular formula
C7H6BF3O2
Average molar mass
189.93 g/mol
Monoisotopic mass
190.04129449

Names & identifiers

Preferred name
3-(Trifluoromethyl)phenylboronic acid
IUPAC
[3-(trifluoromethyl)phenyl]boronic acid
English name
3-(Trifluoromethyl)phenylboronic acid
Molecular formula
C7H6BF3O2
Molecular weight
189.93

Names & synonyms

3-(Trifluoromethyl)phenylboronic acid1423-26-3DTXSID20370277RefChem:505492DTXCID503213133-Trifluoromethylphenylboronic acid[3-(trifluoromethyl)phenyl]boronic Acid(3-(Trifluoromethyl)phenyl)boronic acid3-(Trifluoromethyl)benzeneboronic acidMFCD00151854m-(trifluoromethyl)phenylboronic acid3-trifluoromethylboronic acid
Show more names
AKOS BRN-0023RARECHEM AH PB 00963-(Trifluoromethyl)pm-Trufluoromethylboronic Acid3-(TRIFLUOROMETHYL)PHENYLBORIC ACID3-(Trifluoromethyl)phenylboronicaci3-(TRIFLUOROMETHYL)PHENYLBORNIC ACID3-Trifluoromethylphenyk Boronic Acid
Boronic acid, B-[3-(trifluoromethyl)phenyl]-(3-trifluoromethylphenyl)boronic acidCHEMBL336239m-(Trifluoromethyl)benzeneboronic acid3-trifluoro methyl benzene boronic acid(3-trifluoromethyl-phenyl)-boronic acidSY0147823-Boronobenzotrifluoride

Database identifiers

CAS
1423-26-3
PubChem CID
2734388
DTXSID
DTXSID20370277
ChEMBL
CHEMBL336239
EC Number
604-284-2
Nikkaji
J909.874G

Properties

Computed structural properties

Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
163 · 163-166 °C (lit.)
Boiling point
268.2 · 268.2±50.0 °C(Predicted)
Density
1.36 · 1.36±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
slightly sol. in Methanol
form
Powder

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.4%): 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 39 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)

Safety data

F
10-21
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29319090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

Usessuzuki reaction

UsesReactant involved in:Suzuki-Miyaura cross-coupling reactionsAerobic oxidative cross-couplingMicrowave-assisted Petasis reactionsRhodium-catalyzed addition reactionsSyntehsis of biologically active molecules

Upstream & downstream products

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

651 records
New reaction record

Linked notes

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