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