Acetamidine Hydrochloride 盐酸乙脒

CAS 124-42-5 MFCD00013016

化学结构图

124-42-5
SMILES: CC(=N)N.Cl

化学属性

Mol. FormulaC2H7ClN2
Mol. Weight94.54
Melting Point165-170°C
Density1.0
TSCAYes
Solubility1 G/ML
Appearance 白色长棱柱状结晶。熔点177-178℃。易溶于水，不溶于丙酮、乙醚。极易吸潮。有异臭味。
Boiling Point129.78 °C at 760 mmHg

别名和识别编码

Chemical NameAcetamidine Hydrochloride
CAS Number124-42-5
Synonym Acetimidamide hydrochloride {LY} Acetimidamide hydrochloride {} {LY} Acetimidamide hydrochloride {} {} {LY} Acetimidamide hydrochloride {} {} {} {LY} Acetimidamide hydrochloride {} {} {} {} {LY} Acetimidamide hydrochloride {} {} {} {} {} {LY} Acetimidamide hydrochloride {} {} {} {} {} {} {LY} Acetimidamide hydrochloride {} {} {} {} {} {} {} {LY} Acetimidamide hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetimidamide hydrochloride {} {} {} {} {} {} {} {} {} {LY} Acetimidamide hydrochloride {} {} {} {} {} {} {} {} {} {} {LY} Acetimidamide hydrochloride {} {} {} {} {} {} {} {} {} {} {} {LY} Acetimidamide hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetimidamide hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetimidamide hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetimidamide hydrochloride {} {} {} {} {} {} {} {} {} {} {} {
Beilstein Registry Number3591762
EC Number204-700-9
MDL NumberMFCD00013016
PubChem Substance ID67170
Reaxys-RN3591762
Merck Number44
Alfabeta NameETHANIMIDAMIDEHYDROCHLORIDE
Chemical Name Translation盐酸乙脒
LabNetwork Molecule IDLN00185597
InChIInChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
Canonical SMILESCC(N)=N.[H]Cl
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分类

  • Building Blocks, Chemical Synthesis, Imines/Amidines, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; 2fragments; ionic
  • {Chemicalbook} 农药中间体: 杀鼠剂中间体
  • {SNA} Building Blocks, Chemical Synthesis, Imines/Amidines, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: III/20a
  • Short: EINECS
  • Merck: 14,44 Beilstein:2(4)429
  • Merck: 14,44

安全信息

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。
  • 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。
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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）。
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
GHS Symbol
WGK Germany3
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
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
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Warnings IRRITANT

其他信息

  • 下游产品:4-氯-2-甲基嘧啶 --> 硝酸硫胺 --> 盐酸硫胺 --> 2-甲基-4-三氟甲基嘧啶-5-甲酸 --> 2-甲基-4，6-二羟基嘧啶-5-醛 --> 2-甲基-4-羟基-5-溴嘧啶 --> 2-甲基-4-羟基嘧啶-5-羧酸乙酯 --> 毒鼠磷 --> 2-甲基-4-氨基-5-氨基甲基嘧啶 --> 啶虫脒 --> 2-甲基-4,6-二羟基嘧啶 --> 2-甲基-6-三氟甲基-4-羟基嘧啶 --> 2-甲基嘧啶-4-醇 --> 2-甲基-4-氨基嘧啶-5-羧酸 --> 2-甲基-4-羟基嘧啶 --> 2-甲基-4-氨基嘧啶-5-腈
  • 水中溶解度: 1 G/ML，溶于醇，不溶于丙酮,乙醚。加到碱液中,则游离析出乙脒,呈强碱性,微加热则分解为氨和醋酸。
  • 用途三:盐酸乙脒是医药中间体，用作生产维生素B1。
  • Sigma Aldrich:124-42-5(sigmaaldrich)
  • Alfa Aesar:乙脒盐酸盐,97% Acetamidine hydrochloride, 97%(124-42-5)
  • 上游原料:盐酸 --> 甲醇 --> 氨 --> 氯化铵 --> 乙腈 --> 磷酸 --> 氯磺酸 --> 亚胺 --> 氯化氢甲醇溶液 --> 甲乙醚
  • 用途一:是合成维生素B1的重要中间体，也用作有机合成原料
  • F:3
  • 用途二:盐酸乙脒是有机磷杀鼠剂毒鼠磷、溴代毒鼠磷的中间体，在医药上也是维生素B 1 的中间体。
  • 海关编码:29252000
  • 盐酸乙脒价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0008 盐酸乙脒 Acetamidine Hydrochloride
  • 图谱信息:盐酸乙脒(124-42-5)质谱(MS) 盐酸乙脒(124-42-5)核磁图( 13 CNMR) 盐酸乙脒(124-42-5)红外图谱(IR1) 盐酸乙脒(124-42-5)红外图谱(IR2)
  • 盐酸乙脒价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 A0008 盐酸乙脒 Acetamidine Hydrochloride 25G 275元 2011/04/16 A0008 盐酸乙脒 Acetamidine Hydrochloride 500G 1440元 2010/06/21 170215000 盐酸乙脒 Acetamidine hydrochloride 98+% 500 GR 1991元
  • 方法一:其制备方法是由乙腈、盐酸和甲醇经加成、氨化而得。 使甲醇在湍球塔内循环，冷却下通入干燥的氯化氢，制成45％的氯化氢甲醇溶液。然后投入反应罐，搅拌冷却至5～10℃，滴加乙腈，并于15～20℃保温6 h，得亚氨基甲乙醚盐酸盐。放入预先配制好的13％氨甲醇溶液中，在0～40℃氨解，保持pH=7～8，搅拌2～3h，降温到30℃以下，离心分离滤出氯化铵。滤液回收甲醇，冷却过滤得成品。
  • MSDS 信息:Acetamidine hydrochloride(124-42-5).msds
  • 敏感性:Hygroscopic
  • Acros Organics:乙脒盐酸盐 Acetamidine hydrochloride, 98+%(124-42-5)
  • MOL 文件:124-42-5.mol
  • 方法二:由乙腈、盐酸和甲醇经加成、氨化而得。使甲醇在湍球塔内循环，压力小于26.6kPa，冷却下通入干燥的氯化氢，制成浓度为45%的氯化氢甲醇溶液。然后投入反应罐，搅拌冷却至10-5℃，滴加乙腈，并于15-20℃保温6h，得亚胺基甲乙醚盐酸盐。放入预先配制好的13%氨甲醇溶液中，在0-40℃氨解，保持pH值7-8，搅拌2-3h，降温至30℃以下，离心分离滤出氯化铵。滤液回收甲醇，冷却过滤得成品。重量投料比：乙腈：氯化氢甲醇溶液（45%）：氨：甲醇＝1：3：1.05：4.3。收率82%-85%。
  • TCI Shanghai:盐酸乙脒 Acetamidine Hydrochloride,>;94.0%(T)(124-42-5)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Imines/Amidines - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Oximes - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Hydroxylamines
  1. Functional Group 官能团索引
  2. carboxylic acid amidine
  1. Chemical Synthesis 化学合成
  2. Others
  1. Chemical Synthesis 化学合成
  2. Others