Nicotinic Hydrazide 烟酰肼

CAS 553-53-7 MFCD00006383

化学结构图

553-53-7
SMILES: NNC(=O)C1C=NC=CC=1

化学属性

Mol. FormulaC6H7N3O
Mol. Weight137.14
Density1.244
Melting Point159-161°C
TSCANo
Boiling Point251.97 °C at 760 mmHg

别名和识别编码

Chemical NameNicotinic Hydrazide
CAS Number553-53-7
Synonym Nicotinohydrazide {LY} Nicotinohydrazide {} {LY} Nicotinohydrazide {} {} {LY} Nicotinohydrazide {} {} {} {LY} Nicotinohydrazide {} {} {} {} { {} {} {} {} {LY} Nicotinohydrazide {} {} {} {} {} {LY} Nicotinohydrazide {} {} {} {} {} {} {LY} Nicotinohydrazide {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} Nicotinohydrazide {} {} {} {} {} {} {} {} {LY} Nicotinohydrazide {} {} {} {} {} {} {} {} {} {LY} Nicotinohydrazide {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Nicotinohydrazide {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Nicotinohydrazide {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nicotinohydrazide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nicotinohydrazide {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nicotinohydrazide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nicotinohydrazide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00006383
EC Number209-041-0
Beilstein Registry Number22,41
PubChem Substance ID87573480
Chemical Name Translation烟酰肼
Reaxys-RN119299
Wiswesser Line NotationT6NJ CVMZ
LabNetwork Molecule IDLN00226880
Canonical SMILESNNC(C1=CC=CN=C1)=O
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分类

  • {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • Impurities
  • Pharmaceuticals
  • Amines
  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 6RingOnly; 6ring; amide; 1fragment
  • Aromatics
  • Intermediates & Fine Chemicals,

产品应用

  • An impurity of Isoniazid (I821450), potent antitubercular agent against M. tuberculosis.

相关文献及参考

  • Brewer, G.A., et al.: Anal. Profiles. Drug. Subs., 6, 183 (1977),
  • Short: III/20a
  • Hydrogenolysis of the phenyl groups yields the monophosphate ester of the alcohol. Glycosyl monophosphates have been prepared in this way. Alternatively, treatment of the glycosyl diphenyl phosphate with sodium azide in DMF provides a high yield route to glycosyl azides: Carbohydr. Res., 223, 169 (1992).
  • Diphenylphosphate has also been exploited as a good leaving group in the high yield conversion (equivalent to dehydration) of secondary alcohols to olefins by thermal elimination: Synthesis, 1300 (1995). For further information, see Triphenyl­ phosphate, L08130. Other conversions, generally in the presence of a base such as triethylamine, in which the equivalent of a dehydration step o
  • Short: EINECS
  • Beilstein:22,41
  • Diphenylphosphate esters, formed with or without catalysis by DMAP, undergo a variety of transformations:

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • 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；
  • 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；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
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
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。
  • 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
  • P305+P351+P338+P337+P313
  • P302+P352+P332+P313+P362+P364
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
RTECSQT1750000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
UN Number UN3265 UN2811
Packing GroupIII
Hazard Class6.1 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 124 gm/kg/71W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   ONCOBS Oncology.  (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.21- 
     1967-  Volume(issue)/page/year: 38,106,1981

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 7,691,1955

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04178

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Acros Organics:3-吡啶甲酰肼/烟酸肼 Nicotinic acid hydrazide, 97%(553-53-7)
  • 图谱信息:3-吡啶甲酰肼(553-53-7)红外图谱(IR2) 3-吡啶甲酰肼(553-53-7)红外图谱(IR1) 3-吡啶甲酰肼(553-53-7)核磁图( 13 CNMR) 3-吡啶甲酰肼(553-53-7)核磁图( 1 HNMR) 3-吡啶甲酰肼(553-53-7)质谱(MS)
  • 上游原料:甲醇 --> 水合肼 --> 烟酸甲酯
  • MOL 文件:553-53-7.mol
  • Sigma Aldrich:553-53-7(sigmaaldrich)
  • TCI Shanghai:烟酸酰肼 Nicotinic Acid Hydrazide,>;98.0%(GC)(T)(553-53-7)
  • 3-吡啶甲酰肼价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0087 烟酸酰肼 Nicotinic Acid Hydrazide 500G 3500元 2014/06/02 N0087 烟酸酰肼 Nicotinic Acid Hydrazide 25G 338元 2010/06/21 148201000 3-吡啶甲酰肼 Nicotinic acid hydrazide 97% 100 GR 1545元
  • 检测方法:HPLC,NMR
  • Alfa Aesar:烟酸酰肼,98+% Nicotinic hydrazide, 98+%(553-53-7)

系列性分类

  1. C6 - Pyridines
  1. C6 to C7 - Pyridines
  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. Hydrazines - Nitrogen Compounds
  1. C5

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