Pyrazole 吡唑

CAS 288-13-1 MFCD00005234

化学结构图

288-13-1
SMILES: c1cn[nH]c1

化学属性

Mol. FormulaC3H4N2
Mol. Weight68.08
Density1.116
Boiling Point187°C at 760 mmHg
Melting Point67-70°C
SolubilitySoluble in water, alcohol, ether, and benzene
TSCAYes
Flash Point186-188°C
Stability易吸潮

别名和识别编码

Chemical NamePyrazole
Synonym 1H-pyrazole {LY} 1H-pyrazole {} {LY} 1H-pyrazole {} {} {LY} 1H-pyrazole {} {} {} {LY} 1H-pyrazole {} {} {} {} {LY} 1H-pyrazole {} {} {} {} {} {LY} 1H-pyrazole {} {} {} {} {} {} {LY} 1H-pyrazole {} {} {} {} {} {} {} {LY} 1H-pyrazole {} {} {} {} {} {} {} {} {LY} 1H-pyrazole {} {} {} {} {} {} {} {} {} {LY} 1H-pyrazole {} {} {} {} {} {} {} {} {} {} {LY} 1H-pyrazole {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-pyrazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-pyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-pyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-pyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-pyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-pyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-pyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00005234
CAS Number288-13-1
EC Number206-017-1
Beilstein Registry Number103775
PubChem Substance ID1048
Reaxys-RN103775
Merck Number7960
Alfabeta NamePYRAZOLE H1-
Chemical Name Translation吡唑
Wiswesser Line NotationT5MNJ
LabNetwork Molecule IDLN00185501
InChIInChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
Canonical SMILESN1=CC=CN1
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 5ring; 1fragment
  • {SNA} Building Blocks, C3 to C5, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles

产品应用

  • 用作制备有机金属化和物的配体。

相关文献及参考

  • Merck: 14,7960
  • Forms a complex with Pyridinium chlorochromate, A11752, which allows the selective oxidation of allylic alcohols in the presence of non-allylic alcohols: Lipids, 19, 550 (1984).
  • Short: II/19b
  • Short: II/19c
  • Can be protected on nitrogen by hydroxymethylation with paraformaldehyde, permitting 3-lithiation with t-BuLi: Tetrahedron, 45, 4253 (1989).
  • Short: II/14a
  • Merck: 14,7960 Beilstein:23,39

安全信息

Signal word Danger Warning
GHS Symbol
WGK Germany1
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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
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
  • R52 Harmful to aquatic organisms 对水生生物有害
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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+P312
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P310
  • 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 Codes Xn
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • H318 Causes serious eye damage 严重伤害眼睛
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H311 Toxic in contact with skin 皮肤接触中毒
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSUQ4900000
Storage condition 2-8°C {LY} 2-8°C Hygroscopic {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Warnings IRRITANT
Packing GroupIII
Hazard Class6.1(b)
UN Number 2811
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 374 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EXPEAM Experientia.  (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
   Switzerland)  V.1-    1945-  Volume(issue)/page/year: 28,1198,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 409 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EXPEAM Experientia.  (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
   Switzerland)  V.1-    1945-  Volume(issue)/page/year: 28,1198,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 900 mg/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 57,537,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 175 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   INNDDK Investigational New Drugs. The Journal of New Anticancer Agents.
   Kluwer Academic Pub., POB 358, Accord Stn., Hingham, MA 02018)  V.1- 1983- 
   Volume(issue)/page/year: 6,305,1988

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 100 mg/kg
SEX/DURATION            : female 9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - eye/ear
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 26,65,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 100 mg/kg
SEX/DURATION            : female 6 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 26,65,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 24 mg/kg
SEX/DURATION            : female 8-14 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 - fetal death
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: 25(2),43A,1982

其他信息

  • MSDS 信息:1H-Pyrazole(288-13-1).msds
  • 外观性质:白色结晶。溶于水,溶于醇、醚和苯。熔点:69℃沸点:186-188℃
  • Sigma Aldrich:288-13-1(sigmaaldrich)
  • 溶于水,溶于醇、醚和苯。
  • Alfa Aesar:吡唑,98% 1H-Pyrazole, 98%(288-13-1)
  • MOL 文件:288-13-1.mol
  • 检测方法:GC
  • 吡唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 P0546 吡唑 Pyrazole 25G 515元 2011/04/16 P0546 吡唑 Pyrazole 250G 3250元 2010/06/21 131740250 吡唑 Pyrazole 98%, pure 25 GR 540元
  • 吡唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0546 吡唑 Pyrazole 25G 280元 2014/06/02 P0546 吡唑 Pyrazole 250G 1780元 2010/06/21 131740250 吡唑 Pyrazole 98%, pure 25 GR 540元
  • 用途二:用作制备有机金属化和物的配体。
  • 下游产品:氟虫腈 --> 唑螨酯 --> 2-(1-吡唑基)苯甲酸 --> 3-(1H-吡唑-1-基)苯甲醛 --> 3-(1H-吡唑-3-基)苯甲酸 --> 1H-吡唑-3-硼酸 --> 4-吡唑-1-基苯甲醛 --> 5-(氯甲基)-2-(1H-吡唑-1-基)吡啶 --> 1H-吡唑-4-甲酸 --> 6-(1H-吡唑-1-基)烟酰腈 --> (6-(1H-吡唑-1-基)吡啶-3-基)甲醇 --> 吡唑硫磷 --> 4-(1H-吡唑-1-基)苯基异硫氰酸酯 --> 3-苯基吡唑 --> 吡草胺 --> 甘宝素 --> 6-吡唑-1-基烟酸甲酯 --> 5-氨基-3-氰基-1-(2,6-二氯-4-三氟甲基苯基)吡唑
  • 上游原料:依达拉奉
  • 用途一:吡唑的衍生物吡唑啉是医药和染料的重要中间体
  • TCI Shanghai:吡唑 Pyrazole,>;98.0%(GC)(T)(288-13-1)
  • 海关编码:29331990
  • Acros Organics:吡唑 Pyrazole, pure, 98%(288-13-1)
  • 敏感性:Hygroscopic

系列性分类


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