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


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