3-Amino-2,4,6-Triiodobenzoic Acid 3-氨基-2,4,6-三碘苯甲酸

CAS 3119-15-1 MFCD00007681

化学结构图

3119-15-1
SMILES: Nc1c(I)cc(I)c(C(=O)O)c1I

化学属性

Mol. FormulaC7H4I3NO2
Mol. Weight514.83
Melting Point196-199 °C
TSCANo
Boiling Point478.9±45.0 °C at 760 mmHg

别名和识别编码

Chemical Name3-Amino-2,4,6-Triiodobenzoic Acid
CAS Number3119-15-1
Alfabeta NameAMINOTRIIODOBENZOICACID 3246---,,
MDL NumberMFCD00007681
EC Number221-493-0
PubChem Substance ID18387
Synonym 3-Amino-2,4,6-triiodobenzoic acid {LY} 3-Amino-2,4,6-triiodobenzoic acid {} {LY} 3-Amino-2,4,6-triiodobenzoic acid {} {} {LY} 3-Amino-2,4,6-triiodobenzoic acid {} {} {} {LY} 3-Amino-2,4,6-triiodobenzoic acid {} {} {} {} { {} {} {} {} {LY} 3-Amino-2,4,6-triiodobenzoic acid {} {} {} {} {} {LY} 3-Amino-2,4,6-triiodobenzoic acid {} {} {} {} {} {} {LY} 3-Amino-2,4,6-triiodobenzoic acid {} {} {} {} {} {} {} {LY} 3-Amino-2,4,6-triiodobenzoic acid {} {} {} {} {} {} {} {} {LY} 3-Amino-2,4,6-triiodobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 3-Amino-2,4,6-triiodobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-2,4,6-triiodobenzoic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-2,4,6-triiodobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-2,4,6-triiodobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-2,4,6-triiodobenzoic acid {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation3-氨基-2,4,6-三碘苯甲酸
InChIKeyQMQFFHSJUJDRPG-UHFFFAOYSA-N
Wiswesser Line NotationZR BI DI FI CVQ
Beilstein Registry Number2113495
LabNetwork Molecule IDLN00162635
InChIInChI=1S/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13)
Canonical SMILESC1=C(C(=C(C(=C1I)N)I)C(=O)O)I
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分类

  • {SNA} Aromatic Amino Acids, Chemical Biology, Chemical Synthesis, Peptide Chemistry, Unnatural Amino Acid Derivatives

安全信息

Warnings IRRITANT
Safety Statements
  • 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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
WGK Germany3
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P312
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSDG3349000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1450 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 42,721,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   QJPPAL Quarterly Journal of Pharmacy & Pharmacology.  (London, UK)  V.2-21,
   1929-48.  For publisher information, see JPPMAB.  Volume(issue)/page/year:
   19,483,1946

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 18,33,1963

Storage condition

其他信息

  • 方法一:由间氨基苯甲酸经碘化而得。将间氨基苯甲酸加入反应罐内，用30%盐酸调节pH为2-3，以20%的氯化钠溶液将一氯化碘溶液加入反应罐内。在室温下搅拌3h，缓慢升温至85-90℃，保温5-6h，测得固体物熔点达180℃以上则为反应终点。待反应完成后，加入适量的焦亚硫酸钠以除去游离碘。过滤，滤饼用水洗涤，得间氨基三碘苯甲酸粗品。将粗品加40%液碱及水配成钠盐，加热至60℃溶解。放置冷却，在25℃以下过滤，得淡紫色鳞片状间氨基三碘苯甲酸结晶。将结晶加入5-6倍水中，加热到60-70℃，加2%的活性炭脱色过滤。滤液用盐酸调节pH2-3，甩滤，滤饼用水洗涤，并干燥，得间氨基三碘苯甲酸。熔点为198℃以上，收率为72.4%.
  • 急性毒性:未名-大鼠LD50: 1450 毫克/公斤; 口服-小鼠LD50: 600 毫克/公斤
  • 储运特性:库房通风低温干燥
  • 3-氨基-2,4,6-三碘苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 B23405 3-氨基-2,4,6-三碘苯甲酸, 99% (dry wt.), may cont. up to 1 mole of water 3-Amino-2,4,6-triiodobenzoic acid, 99% (dry wt.), may cont. up to 1 mole of water 5g 463元 2010/05/25 B23405 3-氨基-2,4,6-三碘苯甲酸, 99% (dry wt.), may cont. up to 1 mole of water 3-Amino-2,4,6-triiodobenzoic acid, 99% (dry wt.), may cont. up to 1 mole of water 25g 1764元
  • MSDS 信息:3-Amino-2,4,6-triiodobenzoic acid(3119-15-1).msds
  • 毒性分级:中毒
  • Alfa Aesar:3-氨基-2,4,6-三碘苯甲酸,99%(drywt.),maycont.upto1moleofwater 3-Amino-2,4,6-triiodobenzoic acid, 99% (dry wt.), may cont. up to 1 mole of water(3119-15-1)
  • 可燃性危险特性:可燃;高温产生有毒氮氧化物和硫氧化物烟雾
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 用途一:作医药中间体。
  • MOL 文件:3119-15-1.mol
  • 上游原料:Α-球蛋白 --> 焦亚硫酸钠 --> 3-氨基苯甲酸 --> 一氯化碘 --> 氯化碘溶液 --> 苯甲酸(粗品) --> 2,3,5-三碘苯甲酸
  • 类别:有毒物品

系列性分类

  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Peptide Chemistry 多肽化学
  4. Unnatural Amino Acid Derivatives 人工合成氨基酸
  5. Aromatic Amino Acids - Unnatural Amino Acid Derivatives

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