2-Methyl-2-Nitropropane 2-甲基-2-硝基丙烷

CAS 594-70-7 MFCD00007393

化学结构图

594-70-7
SMILES: CC(C)(C)[N+](=O)[O-]

化学属性

Mol. FormulaC4H9NO2
Mol. Weight103.12
Refractive index1.400
Boiling Point126-127 °C at 760 mmHg
Density0.950
Flash Point19°C(lit.)
TSCAYes
Melting Point24 °C
Solubility不溶

别名和识别编码

Chemical Name2-Methyl-2-Nitropropane
CAS Number594-70-7
PubChem Substance ID11672
EC Number209-851-4
MDL NumberMFCD00007393
Beilstein Registry Number1(4)301
Reaxys-RN1744184
Synonym 2-Methyl-2-nitropropane {LY} 2-Methyl-2-nitropropane {} {LY} 2-Methyl-2-nitropropane {} {} {LY} 2-Methyl-2-nitropropane {} {} {} {LY} 2-Methyl-2-nitropropane {} {} {} {} {LY} 2-Methyl-2-nitropropane {} {} {} {} {} {LY} 2-Methyl-2-nitropropane {} {} {} {} {} {} {LY} 2-Methyl-2-nitropropane {} {} {} {} {} {} {} {LY} 2-Methyl-2-nitropropane {} {} {} {} {} {} {} {} {LY} 2-Methyl-2-nitropropane {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-2-nitropropane {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-2-nitropropane {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-2-nitropropane {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-2-nitropropane {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-2-nitropropane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-2-nitropropane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-2-nitropropane {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation2-甲基-2-硝基丙烷
LabNetwork Molecule IDLN01325281
InChIInChI=1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3
Canonical SMILESCC([N+]([O-])=O)(C)C
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分类

  • Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Beil. 1 ,129
  • Aldrich MSDS 1 , 1279:D / Corp MSDS 1 (2), 2395:B / FT-IR 1 (1), 400:D / FT-IR 2 (1), 631:C / FT-NMR 1 (1), 625:B / IR-Spectra (3), 235:F / NMR-Reference 2 (1), 352:B / RegBook 1 (1), 437:G / Structure Index 1 , 63:C:4 / Vapor Phase 3 , 483:C
  • Short: II/14a Title: Molecular Constants: Diamagnetic Molecules Author: Demaison, J.; Dubrulle, A.; Hüttner, W.; Tiemann, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/14a Page: 1-788 Year: 1982 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-11365-7 ISBN: 978-3-540-11365-2 Internet Resource: DOI:10.1007/b19966 RefComment: 196 figs., XI
  • Short: II/25C Title: Structure Data Of Free Polyatomic Molecules: Molecules containing Three or Four Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25C Year: 2001 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-66774-1 ISBN: 978-3-540-66774-2 Internet Resource: DOI:10.1007/b71431 RefComment: VIII, 481 pages. Hardcover Abstract: This volume contains data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc.) of free polyatomic molecules including free radicals and molecular ions. This survey on structure data is made of four subvolume, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been incl

安全信息

GHS Symbol
WGK Germany3
Hazard Codes F;Xi F,Xi
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H228 Flammable solid 易燃固体
  • 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 Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • 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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • 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。
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P304+P340
  • 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）。
  • 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
  • P370+P378
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger Warning
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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • 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
  • R11 Highly flammable 非常易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number UN1325 1993 1325 UN 1993 3/PG 2
Packing GroupII
Storage condition 2-8°C {LY} 2-8°C Flammables area {} {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°
Hazard Class4.1

其他信息

  • EPA化学物质信息:Propane, 2-methyl-2-nitro-(594-70-7)
  • 图谱信息:2-甲基-2-硝基丙烷(594-70-7)核磁图( 1 HNMR) 2-甲基-2-硝基丙烷(594-70-7)红外图谱(IR1) 2-甲基-2-硝基丙烷(594-70-7)核磁图( 13 CNMR) 2-甲基-2-硝基丙烷(594-70-7)质谱(MS)
  • HazardClass:4.1
  • PackingGroup:II
  • 2-甲基-2-硝基丙烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M1241 2-甲基-2-硝基丙烷 2-Methyl-2-nitropropane 5G 377元 2014/06/02 M1241 2-甲基-2-硝基丙烷 2-Methyl-2-nitropropane 25G 1150元 2010/06/21 182960250 2-甲基-2-硝基丙烷 2-Methyl-2-nitropropane 99% 25 GR 1283元
  • NIST化学物质信息:Propane, 2-methyl-2-nitro-(594-70-7)
  • MOL 文件:594-70-7.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkanes 烷烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Nitro Compounds 硝基化合物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanides

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