Salicylamide 水杨酰胺

CAS 65-45-2 MFCD00007978

化学结构图

65-45-2
SMILES: NC(=O)c1ccccc1O

化学属性

Mol. FormulaC7H7NO2
Mol. Weight137.14
Density1.175
Melting Point140-144°C
TSCAYes
Boiling Point318.3°C at 760 mmHg
Solubility<0.1 G/100 ML AT 20 ºC
Stability对光敏感
Flash Point181°C/14mm

别名和识别编码

Chemical NameSalicylamide
CAS Number65-45-2
Synonym Salicylamide {LY} Salicylamide {} {LY} Salicylamide {} {} {LY} Salicylamide {} {} {} {LY} Salicylamide {} {} {} {} {LY} Salicylamide {} {} {} {} {} {LY} Salicylamide {} {} {} {} {} {} {LY} Salicylamide {} {} {} {} {} {} {} {LY} Salicylamide {} {} {} {} {} {} {} {} {LY} Salicylamide {} {} {} {} {} {} {} {} {} {LY} Salicylamide {} {} {} {} {} {} {} {} {} {} {LY} Salicylamide {} {} {} {} {} {} {} {} {} {} {} {LY} Salicylamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} Salicylamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Salicylamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Salicylamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Salicylamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Salicylamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
EC Number200-609-3
Beilstein Registry Number742439
MDL NumberMFCD00007978
PubChem Substance ID87575637
Merck Number8328
Chemical Name Translation水杨酰胺
Reaxys-RN742439
Wiswesser Line NotationZVR BQ
LabNetwork Molecule IDLN00195533
Canonical SMILESO=C(N)C1=CC=CC=C1O
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分类

  • {SNA} Analytical Reagents, Analytical/Ch
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; amide; alcohol; 1fragment
  • {SNA} Amides, Bioactive Small Molecules, Building Blocks, C2 to C7, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks, S, 细胞生物学
  • {SNA} Mass Spectrometry (MS), Matrices for MALDI Analysis, Matrix Substances for MALDI-MS, Spectroscopy, 分子生物学, 分析/色谱, 分析试剂, 蛋白质组学, 质谱
  • {SNA} Analytical Reagents,
  • {SNA} Amides, Building Blocks, C2 to C7, Carbonyl Compounds, Chemical Synthesis,

产品应用

  • Analgesic.

相关文献及参考

  • Simonsen, K., et al.: J. Anal. Toxicol., 34, 367 (2010),
  • Short: II/27C
  • Short: II/27B
  • Merck: 14,8328 Beilstein:10,87
  • Merck: 14,8328
  • Komsta, L., et al.: J. Pharm. Biomed. Anal., 53, 911 (2010),

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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
  • R22 Harmful if swallowed 吞咽有害
  • 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
  • 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。
  • 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+P330
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSVN6475000
Hazard Codes Xn
Storage condition 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 from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Packing GroupIII
Hazard Class6.1(b)
UN Number 3249 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 313 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 101,119,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 8,25,1958

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 5,572,1955

TYPE OF

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 7 gm/kg
SEX/DURATION            : female 12-18 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Effects on Embryo or Fetus - extra-embryonic structures
   (e.g., placenta, umbilical cord)
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/y

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPO

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - hamster
DOSE                    : 762 mg/kg
SEX/DURATION            : female 9-10 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   JEZOAO Journal of Experimental Zoology.  (Alan R. Liss, Inc., 41 E. 11th
   St., New York, NY 10003) V.1-    1904-  Volume(issue)/page/year:
   156,197,1964

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 7 gm/kg
SEX/DURATION            : female 5-11 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 18,17,1978

其他信息

  • 用途一:解热镇痛药，用于发热头痛、神经痛、关节痛及活动性风湿症等病症
  • 方法一:将水杨酸甲酯和25%氨水于20℃密闭搅拌3h，再于30-40℃搅拌5h。将反应液冷却、酸化至pH3-4，即析出水杨酸结晶。工业生产中，也可在水杨酸的水溶液中加入焦亚硫酸钠，再通氨反应。收率90%以上。
  • 上游原料:氨 --> 焦亚硫酸钠 --> 水杨酸甲酯
  • MSDS 信息:水杨酰胺(65-45-2).msds
  • TCI Shanghai:水杨酰胺 Salicylamide,>;98.0%(T)(65-45-2)
  • Acros Organics:水杨酰胺 Salicylamide, 99%(65-45-2)
  • 用途三:本品为解热镇痛药，用于发热头痛，神经痛，关节痛及活动性风湿症等。本品也是其它医药、农药等精细化学品的中间体。
  • MOL 文件:65-45-2.mol
  • 下游产品:2-乙氧基苯甲酰胺 --> 拉贝洛尔 --> 5-乙酰基水杨酰胺 --> 依沙酰胺
  • Alfa Aesar:水杨酰胺,98% Salicylamide, 98%(65-45-2)
  • 2-羟基苄胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30163227 水杨酰胺 250g 117元 2011/04/16 S0006 水杨酰胺 Salicylamide 25G 117元 2011/04/16 S0006 水杨酰胺 Salicylamide 500G 502元
  • 微溶于乙醇或甘油，水中溶解度30℃时为0.2%，47℃时为0.8%；甘油中溶解度5℃时为2.0%，39℃时为5.0%，60℃时为10.0%。溶于热水、乙醇、乙醚和氯仿，微溶于冷水，溶于氢氧化钠溶液，水溶液呈酸性反应，略有苦味。28℃饱和水溶液的pH约为5，水溶液钠盐的pH为9。有毒，半数致死量(小鼠，经口)1.4g/kg。有刺激性。
  • 图谱信息:2-羟基苄胺(65-45-2)红外图谱(IR2) 2-羟基苄胺(65-45-2)质谱(MS) 2-羟基苄胺(65-45-2)红外图谱(IR1)
  • 用途二:该品为解热镇痛药，也用于制取邻乙氧基苯酰胺（即止痛灵）等药物。小鼠口服LD50为1.4g/kg。
  • 外观性质:白色至微红色结晶或粉末。
  • Sigma Aldrich:65-45-2(sigmaaldrich)

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. S - Bioactive Small Molecules
  1. Life Science 生命科学
  2. Proteomics 蛋白质组学
  3. Mass Spectrometry - Proteomics
  4. Matrices for MALDI Analysis - Mass Spectrometry
  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. Amides - Carbonyl Compounds
  1. Analytical & Chromatography 分析化学与色谱
  2. HPLC
  3. Analytical Reagents
  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. Aldehydes
  6. C9
  1. Analytical & Chromatography 分析化学与色谱
  2. Adsorbents, Filter Aids and Drying Agents
  3. Other Drying Agents
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Proteomics
  4. Mass Spectrometry
  5. Enzymatic and Chemical Protein Cleavage
  6. Reagents for Chemical Cleavage of Proteins

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