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苯硼酸

苯硼酸用途

苯基硼酸是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。

苯硼酸名称

[ CAS 号 ]:
98-80-6

[ 中文名 ]:
苯硼酸

[ 英文名 ]:
Phenylboronic acid

[中文别名 ]:

[英文别名 ]:

Boronic acid,phenyl
Phenylboric acid
Boric acid,phenyl
Boronic acid, B-phenyl-
Benzeneboronic acid
Phenyldihydroxyborane
Phenylboronic acid
Dihydroxyphenylborane
benzene boronic acid
Borophenylic acid

苯硼酸生物活性

[ 描述 ]:

苯基硼酸是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。

[ 相关类别 ]:

研究领域 >> 其他

[体外研究]

苯硼酸是一种硼酸,用于水木海克和铃木宫浦偶联反应。

苯硼酸物理化学性质

[ 密度 ]:
1.1±0.1 g/cm3

[ 沸点 ]:
265.9±23.0 °C at 760 mmHg

[ 熔点 ]:
216-219 °C(lit.)

[ 分子式 ]:
C₆H₇BO₂

[ 分子量 ]:
121.93

[ 闪点 ]:
114.6±22.6 °C

[ 精确质量 ]:
122.053909

[ PSA ]:
40.46000

[ LogP ]:
1.59

[ 外观性状 ]:
白色至灰白色固体

[ 蒸汽压 ]:
0.0±0.6 mmHg at 25°C

[ 折射率 ]:
1.534

[ 储存条件 ]:
通风低温干燥,与库房食品原料分开存放

[ 水溶解性 ]:
10 g/L (20 ºC)

苯硼酸MSDS

苯硼酸毒性和生态

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

苯硼酸安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xn:Harmful

[ 风险声明 (欧洲) ]:
R22;R36/37/38

[ 安全声明 (欧洲) ]:
S22-S24/25-S36/37/39-S26

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
3

[ RTECS号 ]:
CY8575000

[ 海关编码 ]:
2942000000

苯硼酸合成路线

苯硼酸上下游产品

苯硼酸上游产品

苯硼酸下游产品

苯硼酸制备

1. 在1小时内，将0.25摩尔苯基溴化镁(大约1摩尔溶液)加到58克(0.25摩尔)硼酸正丁酯溶于100毫升纯乙醚的溶液中。反应期间溶液用机械搅拌和固体二氧化碳和丙酮浴冷却，使内部温度保持在一70℃至一75℃之间。当格氏试剂滴进反应液时，立即形成白色沉淀，沉淀慢慢又溶解。格氏试剂加完后，继续搅拌反应混合物(在一75℃)至沉淀全部溶解。生成的桔黄色溶液在冷水浴中慢慢升温至0℃(最好过夜)。在剧烈搅拌下，将反应混合物慢侵加到150毫升冷的10%硫酸中，分出乙醚层。水层用2份100毫升乙醚萃取。合并原来的乙醚层和乙醚萃取液，在蒸汽浴上蒸去乙醚。残留液中含苯基硼酸和正丁醇，用氢氧化钾溶液处理，至溶液明显呈碱性。加入足够的水，使得在醇层下面形成约150毫升的水层。在减压下温和加热<不超过45℃)，水汽蒸馏蒸出正丁醇，按需要经常慢慢加些温热水，继续蒸馏至无正丁醇馏出为止。最后有少量联苯被蒸出，而蒸馏瓶中的水层则分离出少量粘性固体。
残留液中加入硫酸酸化，至刚果红试纸变色，稀释(如果需要)至150一200毫升。不用分出沉淀，在继续搅拌下将混合物加热至沸腾，短时间后晶体完全融化，成为重的不溶的棕色油层。倾出水层，使之经过折叠滤纸。油层用几份20毫升沸水提取，趁热过滤提取液，与原来的水层合并，冷却后结晶出白色针状的苯基硼酸。产品干燥后重14一17克（50-60%），不再精制，用毛细管测得熔点 214一216℃(校正)。从母液中还可回收1一2克不纯的产品。当大量制备时用更浓的格氏试剂溶液，产率则要低点(42-47%）。
用相似的方法可以制得对甲苯基硼酸、对甲氧基硼酸等。

2.实验室可以通过苯基格氏试剂和硼酸三酯反应来制备。

苯硼酸海关

[ 海关编码 ]: 2931900090

[ 中文概述 ]:
2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%

[ 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%

苯硼酸文献

Carbonic anhydrase inhibitors: inhibition of the cytosolic human isozyme VII with anions.

Bioorg. Med. Chem. Lett. 16 , 3139-43, (2006)

An inhibition study of the cytosolic carbonic anhydrase (CA, EC 4.2.1.1) isozyme VII (hCA VII) with anions has been conducted. Cyanate, cyanide, and hydrogensulfite were weak hCA VII inhibitors (K(I)s...

Antioxidants Inhibit Formation of 3-Monochloropropane-1,2-diol Esters in Model Reactions.

J. Agric. Food Chem. 63 , 9850-4, (2015)

The capacities of six antioxidants to inhibit the formation of 3-monochloropropane-1,2 diol (3-MCPD) esters were examined in this study. Inhibitory capacities of the antioxidants were investigated bot...

Carbonic anhydrase inhibitors. Inhibition studies with anions and sulfonamides of a new cytosolic enzyme from the scleractinian coral Stylophora pistillata.

Bioorg. Med. Chem. Lett. 21 , 710-4, (2011)

The catalytic activity and the inhibition of a new coral carbonic anhydrase (CA, EC 4.2.1.1), from the scleractinian coral Stylophora pistillata, STPCA-2, has been investigated. STPCA-2 has high catal...

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苯硼酸