User Login
Register
Home
About Us
Compound List
What's New
Technical Support
Contact Us
Key Word
Structure
F.G.
Accurate
Fuzzy
Regular Expression
Search Criteria:
All
Chemical Names
Registry Numbers
Catalogue Numbers
Exact Match
Substructure Match
Similarity Match
Match Chirality(R/S)
Match Cis-trans(E/Z)
Match Charges(+/-)
Match Isotopes
Match Radicals
Similarity Threshold (0~1):
1
0.9
0.8
0.7
0.6
0.5
0.4
0.3
0.2
0.1
Structure Similarity/Functional Similarity(0~1):
1
0.9
0.8
0.7
0.6
0.5
0.4
0.3
0.2
0.1
Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified
Tips: Press Ctrl key to select multiple functional groups
Home
>
Compound List
> Product Information
Click picture or here to close
2D
3D
Download
Zoom
4-(Trifluoromethyl)phenylboronic acid
Catalog No.
439320
Name
Sigma Aldrich
CAS Number
128796-39-4
Website
http://www.sigmaaldrich.com
M. F.
C7H6BF3O2
Telephone
1-800-521-8956
M. W.
189.9275496
Fax
Purity
≥95.0%
Email
Storage
Chembase ID: 9265
PRICE
Please log in
SYNONYMS
Title
4-(三氟甲基)苯硼酸
IUPAC name
[4-(trifluoromethyl)phenyl]boronic acid
IUPAC Traditional name
4-(trifluoromethyl)phenylboronic acid
Synonyms
α,α,α-Trifluoro-p-tolylboronic acid
[p-(Trifluoromethyl)phenyl]boronic acid
α,α,α-三氟对甲苯基硼酸
4-(Trifluoromethyl)benzeneboronic acid
对三氟甲基苯硼酸
DATABASE IDS
CAS Number
128796-39-4
MDL Number
MFCD00151855
PubChem SID
24867498
Beilstein Number
3544189
PROPERTIES
Linear Formula
CF3C6H4B(OH)2
Purity
≥95.0%
Melting Point
245-250 °C(lit.)
GHS Pictograms
GHS Signal Word
Warning
GHS Hazard statements
H302
European Hazard Symbols
Harmful (Xn)
MSDS Link
Download
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Risk Statements
22
German water hazard class
3
DETAILS
Description (English)
Other Notes
Contains varying amounts of anhydride
Packaging
1, 5 g in glass bottle
Application
Reagent used for
• Site-selective Suzuki-Miyaura cross-coupling reactions1
• Palladium-catalyzed direct arylation reactions2
• Tandem-type Pd(II)-catalyzed oxidative Heck reaction and intramolecular C-H amidation sequence3
• Ruthenium catalyzed direct arylation4
• Ligand-free copper-catalyzed coupling reactions5
• Amination and conjugate addition reactions6
• Regioselective arylation and alkynylation by Suzuki-Miyaura and Sonogashira cross-coupling reactions7
• Rhodium-catalyzed asymmetric 1,4-addition reactions8
• Copper-catalyzed nitration reactions9
• Regioselective Suzuki-Miyaura coupling and tandem palladium-catalyzed intramolecular aminocarbonylation and annulation10Reagent used in Preparation of
• Thiazole derivatives for printable electronics11
• Terphenyl benzimidazoles as tubulin polymerization inhibitors12
Description (简体中文)
Other Notes
含不定量的酸酐
包装
1, 5 g in glass bottle
Application
Reagent used for
• Site-selective Suzuki-Miyaura cross-coupling reactions1
• Palladium-catalyzed direct arylation reactions2
• Tandem-type Pd(II)-catalyzed oxidative Heck reaction and intramolecular C-H amidation sequence3
• Ruthenium catalyzed direct arylation4
• Ligand-free copper-catalyzed coupling reactions5
• Amination and conjugate addition reactions6
• Regioselective arylation and alkynylation by Suzuki-Miyaura and Sonogashira cross-coupling reactions7
• Rhodium-catalyzed asymmetric 1,4-addition reactions8
• Copper-catalyzed nitration reactions9
• Regioselective Suzuki-Miyaura coupling and tandem palladium-catalyzed intramolecular aminocarbonylation and annulation10Reagent used in Preparation of
• Thiazole derivatives for printable electronics11
• Terphenyl benzimidazoles as tubulin polymerization inhibitors12
REFERENCES