p-Boronobenzoic acid

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Names

[ CAS No. ]:
14047-29-1

[ Name ]:
p-Boronobenzoic acid

[Synonym ]:
4-(Dihydroxyboryl)benzoic acid
Benzoic acid, 4-borono-
4-Carboxybenzeneboronic Acid
4-Boronobenzoic acid
MFCD00151801
4-Carboxyphenylboronic acid
p-Carboxybenzeneboronic acid
p-Boronobenzoic acid
4-(dihydroxyboranyl)benzoic acid

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
406.4±47.0 °C at 760 mmHg

[ Melting Point ]:
220 °C (dec.)(lit.)

[ Molecular Formula ]:
C7H7BO4

[ Molecular Weight ]:
165.94

[ Flash Point ]:
199.6±29.3 °C

[ Exact Mass ]:
166.043747

[ PSA ]:
77.76000

[ LogP ]:
1.27

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.585

[ Storage condition ]:
0-6°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY8925000
CHEMICAL NAME :
Benzeneboronic acid, p-carboxy-
CAS REGISTRY NUMBER :
14047-29-1
BEILSTEIN REFERENCE NO. :
3031088
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H7-B-O4
MOLECULAR WEIGHT :
165.95
WISWESSER LINE NOTATION :
VHOR DBQQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APYPAY Acta Physiologica Polonica. (Karger-Libri, POB CH-4009, Warszawa, Switzerland) V.1-41, 1950-90. Volume(issue)/page/year: 12,173,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1740 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964 Volume(issue)/page/year: -,693,1964

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S37/39-S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
CY8925000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Tolylboronic acid
  • 8-(4-carboxyphenyl)-4-methyl-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide
  • Potassium permanganate
  • 4-Cyanophenylboronic acid
  • Trimethyl borate
  • 4-Bromotoluene
  • Carbon dioxide
  • 1,4-Diiodobenzene
  • 4-Formylphenylboronic acid
  • 4-Bromobenzoic acid

DownStream

  • [4-(Diethylcarbamoyl)phenyl]boronic acid
  • 2'-METHYL-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID
  • 2'-SULFAMOYL-BIPHENYL-4-CARBOXYLICACID
  • [4-(Isopropylcarbamoyl)phenyl]boronic acid
  • 4-Pyridin-4-yl-benzoic acid
  • 4-Pyridin-3-yl-benzoic acid
  • 2'-Chloro-4-biphenylcarboxylic acid
  • 4-(Oxoboryl)benzoyl chloride
  • (4-Phenylaminocarbonylphenyl)boronic acid
  • [4-(Cyclopropylcarbamoyl)phenyl]boronic acid

Articles

Highly efficient aerobic oxidative hydroxylation of arylboronic acids: photoredox catalysis using visible light.

Angew. Chem. Int. Ed. Engl. 3rd ed., 51 , 784-788, (2012)

A new access to 3-substituted-1(2H)-isoquinolone by tandem palladium-catalyzed intramolecular aminocarbonylation annulation.

Org. Biomol. Chem. 13th ed., 10 , 2683-2691, (2012)

An original tribromide derivative based, palladium-catalyzed synthesis of 3-substituted-1(2H)-isoquinolone is described based on a regioselective Suzuki-Miyaura C-C coupling on o-halo-(2,2-dihalovinyl...

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Org. Lett. 6th ed., 14 , 1512-1515, (2012)

A synthetic route to produce a new family of trisulfonated calix[4]arenes bearing a single group, selectively introduced, that lines the binding pocket is reported. Ten examples, including new sulfona...


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Related Compounds

  • 2-Carboxyphenylboronic acid dihydrate
  • 3-AMINO-4-BORONOBENZOIC ACID HYDROCHLORIDE
  • 3-amino-4-boronobenzoic acid
  • 3-Amino-5-carboxylphenylboronic acid
  • p-Stearyloxybenzoylacetic acid ethyl ester
  • p-AMINOBENZOIC ACID-3-(DIETHYLAMINO) PROPYL ESTER HYDROCHLORIDE
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 6-Hydroxy-5,5-dimethylhex-3-en-2-one
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 3-[(3-Chloropyridin-2-yl)sulfanylmethyl]-3-methyl-1-(2,2,2-trifluoroethyl)azetidin-2-one
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-cyclohexyl-1-(3-fluoro-2-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde