2-Iodobenzoic Acid 邻碘苯甲酸

CAS 88-67-5 MFCD00002419

化学结构图

88-67-5
SMILES: O=C(O)c1ccccc1I

化学属性

Mol. FormulaC7H5IO2
Mol. Weight248.02
Melting Point160-162°C
TSCAT
Density2.250
Solubility微溶
Stability对湿度敏感,对光敏感
Appearance 白色或微带色泽的针状结晶或结晶性粉末。熔点162℃，相对密度2.249。溶于醇和醚，难溶于水。
Boiling Point313.9°C at 760 mmHg
Flash Point143.6°C

别名和识别编码

Chemical Name2-Iodobenzoic Acid
CAS Number88-67-5
Alfabeta NameIODOBENZOICACID 2-
MDL NumberMFCD00002419
Synonym o-Iodobenzoic acid {LY} o-Iodobenzoic acid {} {LY} o-Iodobenzoic acid {} {} {LY} o-Iodobenzoic acid {} {} {} {LY} o-Iodobenzoic acid {} {} {} {} {LY} o-Iodobenzoic acid {} {} {} {} {} {LY} o-Iodobenzoic acid {} {} {} {} {} {} {LY} o-Iodobenzoic acid {} {} {} {} {} {} {} {LY} o-Iodobenzoic acid {} {} {} {} {} {} {} {} {LY} o-Iodobenzoic acid {} {} {} {} {} {} {} {} {} {LY} o-Iodobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} o-Iodobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} o-Iodobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} o-Iodobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} o-Iodobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} o-Iodobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} o-Iodobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} o-Iodobenzoic acid {} {} {} {} {} {}
EC Number201-850-7
Beilstein Registry Number1861406
PubChem Substance ID6941
Merck Number5030
Chemical Name Translation邻碘苯甲酸
Reaxys-RN1861406
Wiswesser Line NotationQVR BI
LabNetwork Molecule IDLN00118238
InChIInChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
Canonical SMILESO=C(O)C1=CC=CC=C1I
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment

产品应用

  • 用于有机合成或用作分析试剂。 

相关文献及参考

  • Merck: 14,5030 Beilstein:9,363
  • For related reactions, see 4,4-Dimethyl-2-pentyne, L10210, 2-Iodoaniline, A13059 and 2-Iodophenol, A13599.
  • Merck: 14,5030
  • Short: III/20c
  • In the presence of Tetrakis(triphenyl­phosphine)­palladium(0)­, 10548, and zinc chloride, undergoes cyclization with terminal acetylenes to give isocoumarins: J. Org. Chem., 60, 3711 (1995):
  • Short: EINECS
  • Short: III/5a
  • Short: IV/8A
  • Can be used to protect alcohols as their 2-iodobenzoates by DCC coupling. The group is removed by oxidation with chlorine under basic conditions: Tetrahedron Lett., 28, 5005 (1987).

安全信息

Warnings IRRITANT, LIGHT SENSITIVE
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 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。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • 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
  • P332+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。
  • P302+P350
  • P337+P313
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSDH2975000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHARAT Pharmazie.  (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18,
   Berlin DDR-1020, Ger. Dem. Rep.)  V.1-    1946-  Volume(issue)/page/year:
   12,415,1957

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 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

其他信息

  • 海关编码:29163900
  • 图谱信息:2-碘苯甲酸(88-67-5)红外图谱(IR1) 2-碘苯甲酸(88-67-5)红外图谱(IR2) 2-碘苯甲酸(88-67-5)核磁图( 13 CNMR) 2-碘苯甲酸(88-67-5)质谱(MS)
  • 用途二:用于有机合成或用作分析试剂。
  • 方法一:由邻氨基苯甲酸经重氮化、置换而得。将邻氨基苯甲酸在硫酸存在下用亚硝酸钠重氮化，控制温度在10℃以下，重氮液过滤后，加入碘化钾与硫酸的混合液，加毕搅拌10min，煮沸。过滤，以硫代硫酸钠溶液洗涤，再用水重结晶即得成品。
  • 用途一:用于有机合成或用作分析试剂。
  • TSCA:T
  • 检测方法:HPLC,NMR,T
  • MSDS 信息:2-Iodobenzoic acid(88-67-5).msds
  • 上游原料:邻氨基苯甲酸
  • Acros Organics:2-碘苯甲酸 2-Iodobenzoic acid, 98%(88-67-5)
  • Hazard Note:Irritant
  • 存储注意事项:氮气保护
  • 2-碘苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010286 邻碘苯甲酸 100g 350元 2011/04/16 I0053 2-碘苯甲酸 2-Iodobenzoic Acid 500G 2690元 2011/04/16 I0053 2-碘苯甲酸 2-Iodobenzoic Acid 25G 297元
  • TCI Shanghai:2-碘苯甲酸 2-Iodobenzoic Acid,>;98.0%(GC)(T)(88-67-5)
  • 溶于醇和醚，难溶于水。
  • Alfa Aesar:2-碘苯甲酸,98+% 2-Iodobenzoic acid, 98+%(88-67-5)
  • 下游产品:氟灭酸 --> 2-乙氧羰基苯硼酸频哪醇酯 --> 2-碘酰基苯甲酸 --> 戴斯-马丁氧化剂 --> 2-碘马尿酸 --> 邻碘苯甲酰氯
  • Sigma Aldrich:88-67-5(sigmaaldrich)
  • MOL 文件:88-67-5.mol
  • 敏感性:Light Sensitive

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Piperazines 哌嗪
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C7 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids
  6. C6