Phenylboronic acid

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Names

[ CAS No. ]:
98-80-6

[ Name ]:
Phenylboronic acid

[Synonym ]:
Boronic acid,phenyl
Phenylboric acid
Boric acid,phenyl
Boronic acid, B-phenyl-
Benzeneboronic acid
Phenyldihydroxyborane
Phenylboronic acid
Dihydroxyphenylborane
benzene boronic acid
Borophenylic acid
Phenylboronicacid
EINECS 202-701-9
MFCD00002103
Phenylboronic acid-
Phenyl boronic acid

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
265.9±23.0 °C at 760 mmHg

[ Melting Point ]:
216-219 °C(lit.)

[ Molecular Formula ]:
C₆H₇BO₂

[ Molecular Weight ]:
121.93

[ Flash Point ]:
114.6±22.6 °C

[ Exact Mass ]:
122.053909

[ PSA ]:
40.46000

[ LogP ]:
1.59

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.534

[ Water Solubility ]:
10 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CY8575000

CHEMICAL NAME :: Benzeneboronic acid

CAS REGISTRY NUMBER :: 98-80-6

BEILSTEIN REFERENCE NO. :: 0970972

LAST UPDATED :: 199712

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C6-H7-B-O2

MOLECULAR WEIGHT :: 121.94

WISWESSER LINE NOTATION :: QBQR

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 :: 740 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

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 221 mg/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 :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 450 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BANMAC Bulletin de l'Academie Nationale de Medicine (Paris). (Imprimeries Reunies de Chambray, 226, route d'Apremont, F-73490 La Ravoire, France) V.1- 1836- Volume(issue)/page/year: 135,314,1951

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 600 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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 4500 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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 284 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BANMAC Bulletin de l'Academie Nationale de Medicine (Paris). (Imprimeries Reunies de Chambray, 226, route d'Apremont, F-73490 La Ravoire, France) V.1- 1836- Volume(issue)/page/year: 135,314,1951

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S22-S24/25-S36/37/39-S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
CY8575000

[ HS Code ]:
2942000000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Bromobenzene
Iodobenzene
phenyl trifluoromethanesulfonate
5-Chloro-1,3-xylene
4,4,5,5-Tetramethyl-2-phenyl-1,3,2-dioxaborolane
Phenyllithium
Bis(pinacolato)diboron
benzene
Phenyl[N-methyliminodiacetato-O,O',N]borane
N,N-diisopropylboranamine

DownStream

3-Methyl-5-phenylpyridine
5-Phenylindoline
1-Bromo-3,5-diphenylbenzene
methyl 4-amino-3-phenylbenzoate
3-phenyl-9H-carbazole
5-Phenylisatin
2',5'-DIMETHYL-3-PHENYLPROPIOPHENONE
3-Amino-2-biphenylcarbonitrile
1-(bromomethyl)-3,5-diphenylbenzene
4'-METHYL[1,1'-BIPHENYL]-3-OL

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%

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