Iodobenzene 碘苯

CAS 591-50-4 MFCD00001029

化学结构图

591-50-4
SMILES: Ic1ccccc1

化学属性

Mol. FormulaC6H5I
Mol. Weight204.01
Density1.823
Refractive index1.6170 to 1.6220
Boiling Point188°C at 760 mmHg
Melting Point-29°C
Flash Point77°C
TSCAYes
SolubilitySoluble in ethanol, chloroform, ether, and DMSO (slightly). Insoluble in water.
Stability对光敏感
Appearance 无色液体。熔点-31.27℃,沸点188.3℃,63-64℃(1.07kPa),相对密度1.8308(20/4℃),折光率1.6200(18.5℃),闪点74℃。易溶于乙醚,溶于乙醇和氯仿,不溶于水。见光颜色变黄,有特殊气味。
Danger-Level-
pH-:-
Redox-

别名和识别编码

Chemical NameIodobenzene
Synonym Iodobenzene {LY} Iodobenzene {} {LY} Iodobenzene {} {} {LY} Iodobenzene {} {} {} {LY} Iodobenzene {} {} {} {} {LY} Iodobenzene {} {} {} {} {} {LY} Iodobenzene {} {} {} {} {} {} {LY} Iodobenzene {} {} {} {} {} {} {} {LY} Iodobenzene {} {} {} {} {} {} {} {} {LY} Iodobenzene {} {} {} {} {} {} {} {} {} {LY} Iodobenzene {} {} {} {} {} {} {} {} {} {} {LY} Iodobenzene {} {} {} {} {} {} {} {} {} {} {} {LY} Iodobenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} Iodobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Iodobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Iodobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Iodobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Iodobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number591-50-4
EC Number209-719-6
Beilstein Registry Number1446140
MDL NumberMFCD00001029
PubChem Substance ID11575
Merck Number5029
Reaxys-RN1446140
Chemical Name Translation碘苯
Wiswesser Line NotationIR
LabNetwork Molecule IDLN00008194
InChIInChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
Canonical SMILESIC1=CC=CC=C1
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {SNA} Aryl, Building Blocks, C6, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

产品应用

  • 测折光率标准液。有机合成。 工业上用于液晶材料,医药原料中间体等.

相关文献及参考

  • Short: II/25D
  • Merck:14,5029 Beilstein:5,215
  • Short: II/27B
  • For an extensive collection of the synthetically-useful reactions of iodoaromatics, see: Synthesis, 923 (1988).
  • Merck:14,5029
  • In the presence of Pd catalysts, couples with a wide range of acrylic species or allylic alcohols in the Heck reaction. For example (2-methyl-2-propen-1-ol), see: Org. Synth. Coll., 7, 361 (1990).
  • Active methylene compounds undergo CuI-catalyzed phenylation in DMSO: J. Org. Chem., 58, 7606 (1993).

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R22 Harmful if swallowed 吞咽有害
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P305+P351+P338+P337+P313
  • P301+P312+P330
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P337+P313
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSDA3390000
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light Light Sensitive {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect fro
Hazard Codes Xn Xn,Xi Xi
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 32(10),25,1988

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 17 gm/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 32(10),25,1988

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 16320 mg/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GT

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 16320 mg/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 19(9),36,1975

Restrict -

其他信息

  • 上游原料:碘化钾淀粉试纸 --> 盐酸苯胺
  • 碘苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 LA1278802 碘苯;碘代苯 100g 279元 2011/08/23 30106226 碘代苯 100g 179元 2011/08/23 L0313502 碘代苯,98% 100g 279元
  • TCI Shanghai:碘苯 Iodobenzene,>;99.0%(GC)(591-50-4)
  • 遇光或空气中放置易变黄,有特殊气味,溶于醇、醚、苯和氯仿,不溶于水。低毒,半数致死量(大鼠,经口)1799mg/kg。有刺激性。
  • F:8
  • Alfa Aesar:碘苯,98% Iodobenzene, 98%(591-50-4)
  • Sigma Aldrich:591-50-4(sigmaaldrich)
  • 用途一:用作标准折光率液
  • 用途三:测折光率标准液。有机合成。 工业上用于液晶材料,医药原料中间体等.
  • 图谱信息:碘苯(591-50-4)核磁图( 13 CNMR) 碘苯(591-50-4)质谱(MS) 碘苯(591-50-4)核磁图( 1 HNMR) 碘苯(591-50-4)红外图谱(IR1)
  • Hazard Note:Irritant
  • 海关编码:29036990
  • 下游产品:二苯基乙炔 --> 2-苯基丙二酰胺 --> 5-苯基噻吩-2-羧酸 --> [双(三氟乙酰氧基)碘]苯 --> 5-苯基-2-噻吩甲醛 --> 碘苯二乙酸 --> 3-苯基吡唑
  • 概述:碘苯(Iodobenzene)也称碘代苯,是苯的一碘取代物,分子式为C6H5I,是无色有特殊气味的液体,难溶于水,可溶于氯仿、乙醚和乙醇。对光敏感,见光颜色逐渐变黄。闪点74℃。 由于C-I键键能比C-Cl和C-Br键键能低,因此碘苯的反应性比氯苯和溴苯更强。它可以与镁反应生成格氏试剂苯基碘化镁(PhMgI),后者可在有机合成中用作苯基负离子的合成子等价物。 碘苯也可作为薗头偶合反应、Heck反应和其他金属催化的偶联反应中的原料。
  • 用途二:用于有机合成或用作折光率标准液。
  • MOL 文件:591-50-4.mol
  • 方法一:由苯胺经重氮化、置换而得。将30%盐酸、苯胺加入水中,搅拌冷却至2℃,缓缓滴加亚硝酸钠溶液,控制温度不超过12℃。滴加最后一部分亚硝酸钠溶液时,用碘化钾淀粉试纸测试,呈蓝色为反应终点,得重氮化液。将碘化钾溶液分多次加入重氮化液中,此时放出氮气,放置2h,至无氮气逸出为止。冷却后,分去上层水溶液。加10%氢氧化钠溶液使反应液至pH14。进行水蒸气蒸馏,馏出液分去水层,干燥后常压分馏,收集184-188℃馏分,即为碘苯,收率77%。
  • Acros Organics:碘苯 Iodobenzene, 98%(591-50-4)
  • MSDS 信息:Iodobenzene(591-50-4).msds
  • 敏感性:Light Sensitive

系列性分类