3-Methylpyrazole 3-甲基吡唑

CAS 1453-58-3 MFCD00005240

化学结构图

1453-58-3
SMILES: Cc1ccn[nH]1

化学属性

Mol. FormulaC4H6N2
Mol. Weight82.10
Refractive index1.4930 to 1.4970
Boiling Point204°C at 760 mmHg
Density1.02
Flash Point93°C
TSCANo
SolubilityMISCIBLE
Appearance 3-甲基吡唑(1453-58-3)为浅黄色油状液体。沸点204℃,密度 1.02 ;g/mL ;at 25 ;°C,折光率 n 20/D 1.495,闪点 200 ;°F
pH:A
Melting Point36.5 °C

别名和识别编码

Chemical Name3-Methylpyrazole
CAS Number1453-58-3
Alfabeta NameMETHYLPYRAZOLE 3-
MDL NumberMFCD00005240
PubChem Substance ID15073
EC Number215-925-7
Beilstein Registry Number1454
Reaxys-RN1454
Chemical Name Translation3-甲基吡唑
Wiswesser Line NotationT5MNJ C1
Synonym 3-Methylpyrazole {LY} 3-Methylpyrazole {} {LY} 3-Methylpyrazole {} {} {LY} 3-Methylpyrazole {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {} {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
LabNetwork Molecule IDLN00008741
InChIInChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
Canonical SMILESCC1=NNC=C1
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分类

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

产品应用

  • Its application as nitrification inhibitor of nitrogen fertilizers

相关文献及参考

  • Beilstein:23,50
  • Short: IV/18A
  • Short: III/38B
  • Short: EINECS
  • Short: IV/18B
  • Williams, B., et al.: J. Soil Sci., 34, 113

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard Codes C,Xn 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
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSUQ7340000
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • 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。
  • 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+P330
  • P302
  • P302+P350
  • P303+P361+P353
  • P304+P340+P310
  • P305+P351+P338
  • P308+P313
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
UN Number 2810
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
Packing GroupIII
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 710 mg/kg
TOXIC EFFECTS :
   Autonomic Nervous System - other (direct) parasympathomimetic
   Behavioral - somnolence (general depressed activity)
   Cardiac - other changes
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 32(9),50,1988

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 719 mg/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 32(9),50,1988

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 240 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - excitement
   Behavioral - ataxia
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(6),29,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dos

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
Signal word Warning
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • MOL 文件:1453-58-3.mol
  • 图谱信息:3-甲基吡唑(1453-58-3)核磁图( 13 CNMR) 3-甲基吡唑(1453-58-3)红外图谱(IR1) 3-甲基吡唑(1453-58-3)核磁图( 1 HNMR) 3-甲基吡唑(1453-58-3)质谱(MS) 3-甲基吡唑(1453-58-3)红外图谱(IR2) 3-甲基吡唑(1453-58-3)Raman光谱
  • 下游产品:安替比林 --> 酸性黄17 --> 媒介红 7 --> 4-氯-1H-吡唑-3-羧酸 --> 4-溴-1H-吡唑-3-甲酸
  • Sigma Aldrich:1453-58-3(sigmaaldrich)
  • TCI Shanghai:3-甲基吡唑 3-Methylpyrazole,>;98.0%(GC)(1453-58-3)
  • 和水混溶。
  • Acros Organics:3-甲基吡唑 3-Methylpyrazole, 99%(1453-58-3)
  • Alfa Aesar:3-甲基吡唑,97% 3-Methyl-1H-pyrazole, 97%(1453-58-3)
  • F:10
  • 检测方法:GC,NMR
  • 海关编码:29331990
  • 3-甲基吡唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0564 3-甲基吡唑 3-Methylpyrazole 5G 305元 2014/06/02 M0564 3-甲基吡唑 3-Methylpyrazole 25G 896元 2010/06/21 127560250 3-甲基吡唑 3-Methylpyrazole 99% 25 GR 1156元
  • MSDS 信息:3-Methylpyrazole(1453-58-3).msds

系列性分类


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