Mobile clear colorless liquid with a pungent odor. Flash point 124°F. Denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. A skin irritant.
颜色/状态：
MOBILE LIQUID
气味：
AROMATIC ODOR
蒸汽密度：
5.41 (NTP, 1992) (Relative to Air)
蒸汽压力：
4.18 MM HG @ 25 °C
亨利常数：
0.00 atm-m3/mole
大气OH速率常数：
7.70e-13 cm3/molecule*sec
自燃温度：
1049 °F (565 °C)
粘度：
1.124 CP @ 20 °C
燃烧热：
-8,510 BTU/LB= -4,730 CAL/G= -198X10+5 JOULES/KG
汽化热：
44.5 kJ/mol @ 25 °C
表面张力：
36 DYNES/CM= 0.036 NEWTONS/M @ 20 °C
折光率：
INDEX OF REFRACTION: 1.565 @ 15 °C/D; 1.5602 @ 20 °C/D
IT APPEARS THAT IN BROMOBENZENE NECROSIS /OF LIVER/, THE TOXIC /SRP: BROMOBENZENE EPOXIDE METABOLITES, MAINLY THE 3,4-EPOXIDE, ARE/...DEGRADED THROUGH THE ACTION OF GLUTATHIONE TRANSFERASE & EPOXIDE HYDRATASE.
BROMOBENZENE IS METABOLIZED VIA THE HEPATIC MIXED-FUNCTION OXIDASE SYSTEM TO REACTIVE INTERMEDIATES 2,3- AND 3,4-BROMOBENZENE EPOXIDES. THESE METABOLITES PRESUMABLY BIND TO TISSUE MACROMOLECULES. THE SPECIFIC SITES OF MACROMOLECULAR PROTEINS WERE INVESTIGATED. THE 3,4-EPOXIDE IS MORE REACTIVE, BINDING COVALENTLY TO MICROSOMAL PROTEIN AT THE SITE OF ITS SYNTHESIS, WHEREAS BROMOBENZENE 2,3-EPOXIDE IS MORE STABLE, LEAVING THE MICROSOMAL PROTEIN COMPARTMENT AND BINDING COVALENTLY TO SOL PROTEIN, IE THE HEMOGLOBIN BETA CHAIN.
BROMOBENZENE YIELDS N-ACETYL-S-(4-BROMO-1,2-DIHYDRO-2-HYDROXYPHENYL)-L-CYSTEINE IN RABBIT & RAT; N-ACETYL-S-(P-BROMOPHENYL)-L-CYSTEINE IN DOG & IN MOUSE. /FROM TABLE/
来源:Hazardous Substances Data Bank (HSDB)
代谢
BROMOBENZENE MAY BE METABOLIZED TO AN EPOXIDE...EXCRETED IN BILE, REABSORBED THROUGH ENTEROHEPATIC CIRCULATION, & METABOLIZED IN SEVERAL STEPS TO S-P-BROMOPHENYL MERCAPTURIC ACID, WHICH IS THEN EXCRETED IN URINE.
溴苯可能被代谢成一个环氧化合物...通过胆汁排出，通过肠肝循环再次吸收，并在几个步骤中代谢成S-P-溴苯基巯基尿酸，然后通过尿液排出。
BROMOBENZENE MAY BE METABOLIZED TO AN EPOXIDE...EXCRETED IN BILE, REABSORBED THROUGH ENTEROHEPATIC CIRCULATION, & METABOLIZED IN SEVERAL STEPS TO S-P-BROMOPHENYL MERCAPTURIC ACID, WHICH IS THEN EXCRETED IN URINE.
Bromobenzene is converted to either the 3,4-oxide derivative catalyzed primarily by phenobarbital-induced cytochrome isozymes (e.g., CYP 450 1A2, 2A6, 2B6, and 3A4), or the 2,3-oxide derivative catalyzed primarily by 3-methylcholanthrene and β-naphthoflavone-induced CYP isozymes (e.g., CYP 450 1A1, 1A2, and 1B1). This is followed by urinary excretion as premercapturic and mercapturic acids.
The hepatotoxicity of bromobenzene is due to the production of reactive metabolites that modify or alkylated DNA, RNA and proteins. These reactive metabolites arise from the action of the CYP enzymes that are concentrated in the liver that lead to the production of cytotoxic compounds such as the 2,3- and 3,4-oxides of bromobenzene, the oxides of the bromophenols, 1,4-benzoquinone, and the radicals and quinones derived from redox cycling of the 2- and 4-bromocatechols. Similar reactive metabolites lead to renal damage, albeit at higher doses.
来源:Toxin and Toxin Target Database (T3DB)
毒理性
致癌物分类
对人类无致癌性（未列入国际癌症研究机构IARC清单）。
No indication of carcinogenicity to humans (not listed by IARC).
The toxic effects of bromobenzene following acute exposure have been extensively studied in animals. Liver, kidney, and lung have been identified as the target organs for this chemical by a variety of routes. It can cause liver and nervous system damage if inhaled, ingested, or absorbed through the skin (L1987).
来源:Toxin and Toxin Target Database (T3DB)
毒理性
暴露途径
该物质可以通过吸入和摄入被身体吸收。
The substance can be absorbed into the body by inhalation and by ingestion.
来源:ILO-WHO International Chemical Safety Cards (ICSCs)
毒理性
暴露途径
口服（L626）；吸入（L626）；皮肤给药（L626）
Oral (L626) ; inhalation (L626) ; dermal (L626)
来源:Toxin and Toxin Target Database (T3DB)
吸收、分配和排泄
通过肺部、胃肠道和完好皮肤吸收。以儿茶酚衍生物的形式排出，既有游离态，也与硫酸或巯基尿酸结合。
ABSORBED THROUGH LUNGS, GI TRACT & INTACT SKIN. EXCRETED AS CATECHOL DERIVATIVES BOTH FREE & CONJUGATED WITH SULFATE OR MERCAPTURIC ACID.
BROMOBENZENE MAY BE METAB TO AN EPOXIDE...EXCRETED IN BILE, REABSORBED THROUGH ENTEROHEPATIC CIRCULATION, & METAB IN SEVERAL STEPS TO S-(P-BROMOPHENYL)MERCAPTURIC ACID, WHICH IS THEN EXCRETED IN URINE.
This investigation was designed to determine whether biliary excretion of bromobenzene-glutathione conjugate can be used as an index of in vivo activation of bromobenzene. To test this hypothesis, the effect of chemicals known to alter the toxicity and biotransformation of bromobenzene (ie, cytochrome p450 inducers and inhibitors) on the biliary excretion of bromobenzene-glutathione was studied in rats. Bromobenzene-glutathione was the major bromobenzene metabolite in bile. A linear relationship was observed between the dosage of bromobenzene administered and bromobenzene-glutathione excreted into bile, up to a dosage of 250 umol/kg of bromobenzene. Of the inducers tested, Phenobarbital, which is known to increase the toxicity of bromobenzene, dramatically increased 1700 m1 the rate of biliary excretion of bromobenzene-glutathione over that in control animals. In contrast, 3-methylcholanthrene, which is known to decrease the hepatotoxicity of bromobenzene, decreased the biliary excretion of bromobenzene-glutathione (56%). Inhibitors of p450, such as SKF 525-A and piperonyl butoxide which are known to decrease the activation and hepatotoxicity of bromobenzene, also decreased the biliary excretion of bromobenzene-glutathione. These findings are in agreement with the hypothesis that the biliary excretion of bromobenzene-glutathione reflects the formation of the reactive bromobenzene metabolite in liver and the rate of biliary excretion can be used to determine factors that are important in determining the toxicity of bromobenzene.
Certain carbocyclic aryl- and heterocyclic aryl-substituted cyclopropyl N-hydroxyureas, N-hydoroxycarboxamides, and N-acyl-N-hydroxyamides inhibit 5- and/or 12-lipoxygenase and are useful in the treatment of inflammatory disease states.
Pd-catalyzed carbonylative access to aroyl phosphonates from (hetero)aryl bromides
作者：Zhong Lian、Hongfei Yin、Stig D. Friis、Troels Skrydstrup
DOI：10.1039/c5cc02085a
日期：——
This first carbonylative coupling employing a phosphorus-based nucleophile provides easy and safe access to acyl phosphonates under mild conditions.
这种首次使用磷基亲核试剂的羰基化偶联反应在温和条件下提供了对酰基膦酸酯的简便安全访问。
Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
申请人：Vertex Pharmaceuticals Incorporated
公开号：US20150231142A1
公开（公告）日：2015-08-20
The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.
Hydrazone as the Directing Group for Ir-Catalyzed Arene Diborylations and Sequential Functionalizations
作者：Abel Ros、Rocío López-Rodríguez、Beatriz Estepa、Eleuterio Álvarez、Rosario Fernández、José M. Lassaletta
DOI：10.1021/ja300308c
日期：2012.3.14
The use of hemilabile pyridine-hydrazone N,N-ligands allows the highlyselective Ir-catalyzed ortho,ortho'-directed diborylation of aromatic N,N-dimethylhydrazones in near-quantitative yields. One-pot sequential Suzuki-Miyaura cross-coupling with different arylbromides provides a short entry to unsymmetrically substituted 2,6-diarylbenzaldehyde derivatives.
使用 hemilabile 吡啶-腙 N,N-配体允许以接近定量的产率对芳香族 N,N-二甲基腙进行高度选择性的 Ir 催化的邻、邻'-定向二硼化。与不同芳基溴化物的一锅顺序 Suzuki-Miyaura 交叉偶联为不对称取代的 2,6-二芳基苯甲醛衍生物提供了一个捷径。
Nickel(II) N‐Heterocyclic Carbene Complexes: Versatile Catalysts for C–C, C–S and C–N Coupling Reactions
作者：Lourdes Benítez Junquera、Francys E. Fernández、M. Carmen Puerta、Pedro Valerga
DOI：10.1002/ejic.201700057
日期：2017.5.18
A variety of Ni(II) complexes with a wide range of electronic and steric properties, bearing picolyl-imidazolidene ligands (a-g) and Cp (2a-f) or Cp* (3a,c,g) groups, have been synthesised and characterised using NMR and single crystal X-ray crystallography. The complexes have been used as precatalysts for a wide range of catalytic transformations most likely involving a Ni0/NiII catalytic cycle. In
