3-Carboxyphenylboronic acid

Suppliers

Names

[ Name ]:
3-Carboxyphenylboronic acid

[Synonym ]:
3-(dihydroxyborane)benzoic acid
meta-carboxyphenylboronic acid
m-Carboxyphenylboronic acid
m-Carboxybenzeneboronic acid
3-Carboxybenzeneboronic Acid
3-(Dihydroxyboryl)benzoic acid
3-Carboxyphenylboronic acid
3-Carboxy-phenylboronic acid
Benzeneboronic acid, m-carboxy-
3-(dihydroxyboranyl)benzoic acid
MFCD00036833
Benzoic acid, 3-borono-

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
434.5±47.0 °C at 760 mmHg

[ Melting Point ]:
243-247 °C(lit.)

[ Molecular Formula ]:
C₇H₇BO₄

[ Molecular Weight ]:
165.94

[ Flash Point ]:
216.6±29.3 °C

[ Exact Mass ]:
166.043747

[ PSA ]:
77.76000

[ LogP ]:
1.27

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.585

[ Storage condition ]:
0-6°C

[ Water Solubility ]:
2.5 g/100 mL

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CY8750000

CHEMICAL NAME :: Benzeneboronic acid, m-carboxy-

CAS REGISTRY NUMBER :: 25487-66-5

BEILSTEIN REFERENCE NO. :: 2967400

LAST UPDATED :: 199712

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H7-B-O4

MOLECULAR WEIGHT :: 165.95

WISWESSER LINE NOTATION :: VHOR CBQQ

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 :: 2560 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

[ 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 ]:
CY8750000

[ HS Code ]:
2931900090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

3-(Piperidine-1-carbonyl)phenylboronic acid, pinacol ester
3'-Amino-2'-hydroxy-3-biphenylcarboxylic acid
5'-chloro-2'-hydroxy-3'-nitro-[1,1'-Biphenyl]-3-carboxylic acid
3-(N-Isopropylaminocarbonyl)phenylboronic acid
3-(Pyridin-4-yl)benzoic acid
3-Pyridin-3-yl-benzoic acid
3-Ethoxycarbonylphenylboronic acid
Methyl 4'-amino-[1,1'-biphenyl]-3-carboxylate
3-BUTOXYCARBONYLPHENYLBORONIC ACID
3-(5-Nitropyridin-2-yl)benzoic acid

Customs

[ HS Code ]: 2931900090

[ Summary ]:
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

Articles

Heterocycles 60 , 1891-1897, (2003)

Novel rhodamine dyes via Suzuki coupling of xanthone triflates with arylboroxins Calitree, B. D.; Detty, M. R.

Synlett , 89-92, (2010)

Selective urokinase-type plasminogen activator (uPA) inhibitors. Part 3: 1-isoquinolinylguanidines.

Bioorg. Med. Chem. Lett. 14 , 3227-3230, (2004)

A series of 1-isoquinolinylguanidines are shown to be potent inhibitors of uPA with selectivity over tPA and plasmin. Potency is enhanced by the presence of a 4-halo and a 7-aryl substituent, particul...