3-Aminobenzamide 3-氨基苯甲酰胺

CAS 3544-24-9 MFCD00007989

化学结构图

3544-24-9
SMILES: NC(=O)c1cccc(N)c1

化学属性

Mol. FormulaC7H8N2O
Mol. Weight136.15
Melting Point115-116 °C
TSCANo
Density1.233
Appearance 白色粉末,熔点115-117℃。 powder
Solubilityethanol: 50 mg/mL, clear, faintly yellow
Stability对光线敏感
Boiling Point250.42 °C at 760 mmHg

别名和识别编码

Chemical Name3-Aminobenzamide
Synonym 3-Aminobenzamide {LY} 3-Aminobenzamide {} {LY} 3-Aminobenzamide {} {} {LY} 3-Aminobenzamide {} {} {} {LY} 3-Aminobenzamide {} {} {} {} {LY} 3-Aminobenzamide {} {} {} {} {} {LY} 3-Aminobenzamide {} {} {} {} {} {} {LY} 3-Aminobenzamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzamide {} {} {} {} {} {} {} {} {LY} 3-Aminobenzamide {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzamide {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzamide {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzamide
CAS Number3544-24-9
PubChem Substance ID1645
EC Number222-586-9
MDL NumberMFCD00007989
Beilstein Registry Number14(3)998
Reaxys-RN2802373
Chemical Name Translation3-氨基苯甲酰胺
Wiswesser Line NotationZVR CZ
LabNetwork Molecule IDLN00194138
InChIInChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
Canonical SMILESO=C(C1=CC=CC(N)=C1)N
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分类

  • {SNA} A-AM, Apoptosis and Cell Cycle, Bioactive Small Molecules, Biochemicals and Reagents, Cell Signaling and Neuroscience, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, P to Q, PARP (Poly(ADP-Ribose) polymerase), PARP Inhibitors, PARP Poly(ADP-ribose) Polymerase, 细胞生物学
  • {SNA} A-AM, Amides, Bioactive Small Molecules, Building Blocks, C2 to C7, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Organic Building Blocks
  • {SNA} A-AM, Apoptosis and Cell Cycle, Bioactive Small Molecule Alphabetical Index,

相关文献及参考

  • Heller, B., et al., Inactivation of the poly(ADP-ribose) polymerase gene affects oxygen radical and nitric oxide toxicity in islet cells. J. Biol. Chem. 270 , 11176-11180, (1995) 摘要
  • Gilead, E., et al., Protection by inhibition of poly(ADP-ribose) synthetase against oxidant injury in cardiac myoblasts in vitro . J. Mol. Cell. Cardiol. 29 , 2585, (1997) 摘要
  • Kuo, M.L., et al., Inhibitors of poly(ADP-ribose) polymerase block nitric oxide-induced apoptosis but not differentiation in human leukemia HL 60 cells. Biochem. Biophys. Res. Commun. 219 , 502-508, (1996) 摘要
  • Beilstein:14(3)998
  • Nosseri, C., et al., Possible involvement of poly(ADP-ribosyl) polymerase in triggering stress-induced apoptosis. Exp. Cell Res. 212 , 367-373, (1994) 摘要
  • Beil. 14 ,390

安全信息

GHS Symbol
WGK Germany3
Hazard Codes
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
RTECSCU8992000
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
  • P301+P312+P330
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P304+P340+P312
  • 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)。
  • 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
  • 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
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;
  • 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;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
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
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 te
UN Number
Packing GroupIII
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - wild bird species
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 12,355,1983

{h

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Mammal - species unspecified Fibroblast
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 254,13,1991

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 10 mmol/L
REFERENCE :
   ECREAL Experimental Cell Research.  (Academic Press, Inc., 1 E. First St.,
   Duluth, MN 55802) V.10-    1950-  Volume(issue)/page/year: 143,377,1983

{hazard_com

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 2 mmol/L
REFERENCE :
   CGCGBR Cytogenetics and Cell Genetics.  (S. Karger Pub., Inc., 79 Fifth
   Ave., New York, NY 10003) V.12-    1973-  Volume(issue)/page/year:
   41,202,1986

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 100 umol/L
REFERENCE :
   ECREAL Experimental Cell Research.  (Academic Press, Inc., 1 E. First St.,
   Duluth, MN 55802) V.10-    1950-  Volume(issue)/page/year: 172,258,1987

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Embryo
DOSE/DURATION           : 3 mmol/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 10,237,1989

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Embryo
DOSE/DURATION           : 10 mmol/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 10,237,1989

其他信息

  • TCI Shanghai:3-氨基苯甲酰胺 3-Aminobenzamide,>;98.0%(T)(3544-24-9)
  • Acros Organics:3-氨基苯甲酰胺 3-Aminobenzamide, 98%(3544-24-9)
  • Alfa Aesar:3-氨基苯甲酰胺,98% 3-Aminobenzamide, 98%(3544-24-9)
  • 储运特性:库房通风低温干燥
  • 3-氨基苯甲酰胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0630 3-氨基苯甲酰胺 3-Aminobenzamide 25G 1700元 2014/06/02 A0630 3-氨基苯甲酰胺 3-Aminobenzamide 5G 561元 2010/06/21 339080050 3-氨基苯甲酰胺 3-Aminobenzamide 98% 5 GR 1205元
  • 急性毒性:口服-野鸟LD50: 1000 毫克/公斤
  • MOL 文件:3544-24-9.mol
  • 用途一:有机化工原料中间体。
  • 毒性分级:中毒
  • Sigma Aldrich:3544-24-9(sigmaaldrich)
  • 图谱信息:3-氨基苯甲酰胺(3544-24-9)核磁图( 1 HNMR) 3-氨基苯甲酰胺(3544-24-9)红外图谱(IR1) 3-氨基苯甲酰胺(3544-24-9)质谱(MS) 3-氨基苯甲酰胺(3544-24-9)核磁图( 13 CNMR)
  • 上游原料:二氯甲烷 --> 硫酸钠 --> 酸性氧化铝 --> 甲基磺酸 --> 间氨基苯甲腈
  • 存储注意事项:光敏感;氮气保护
  • 下游产品:3-亚硝基苯酰胺
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 敏感性:Light Sensitive
  • color:white to off-white
  • 可燃性危险特性:可燃;燃烧产生有毒氮氧化物烟雾
  • 类别:有毒物品

系列性分类


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