1-Nitropropane 1-硝基丙烷

CAS 108-03-2 MFCD00007407

化学结构图

108-03-2
SMILES: CCC[N+]([O-])=O

化学属性

Mol. FormulaC₃H₇NO₂
Mol. Weight89.09
Refractive index1.4000 to 1.4030
Boiling Point-
Density1.000
Flash Point-
TSCAYes
Melting Point-108
Autoignition Point788 °F
Vapor Density3.1 (vs air)
Vapor Pressure7.5 mmHg ( 20 °C)
Solubility微溶于水。

别名和识别编码

Chemical Name1-Nitropropane
CAS Number108-03-2
PubChem Substance ID87573609
EC Number203-544-9
Beilstein Registry Number506236
MDL Number-
Reaxys-RN506236
Merck Number6626
Synonym 1-NITROPROPAN 98%(GC) 1-NITROPROPANE 1-NITROPROPANE, STANDARD FOR GC 1-NP 1-NitroPropane99% 1-Nitropan 1-Nitropropane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation1-硝基丙烷
Wiswesser Line NotationWN3
LabNetwork Molecule IDLN00223912
Canonical SMILES-
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分类

  • {SNA} Building Blocks, Chemical Synthesis,
  • {SNA} Alpha Sort, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chemical Class, Chromatography, Environmental Standards, N, N-O, NA - NI, Nitro Compounds, Volatiles/ Semivolatiles
  • {uni_hamburg} no charge; 1fragment
  • Alpha Sort, Alphabetic, Analytical Standards, Analytical/Chromatography, Chemical Class, Chromatography, Environmental Standards, N, N-O, NA - NI, Nitro Compounds, Volatiles/ Semivolatiles
  • {SNA} Building Blocks,

产品应用

  • 主要用作溶剂和中间体,喷气发动机燃料,喷雾剂等。
  • (1)作为溶剂,对醇;酮;醚;酯,以及染料;油脂;蜡;树脂;合成橡胶均有很强的溶解力。与酒精并用是乙酸纤维的强力溶剂;与酒精;芒烃并用可代替氯化烃类溶剂溶解三乙酸纤维。作为低温溶剂可以溶解氯乙烯-乙酸乙烯的共聚物,还可用于溶解硝酸纤维。
  • (2)为胺类;羟胺类;硝基羟基化合物;氯化硝基烷烃等化工产品的中间体,如硝基丙烷与甲烷在硫酸存在下水解,可得硫酸羟胺与丙酸。在医药工业中用于生产抗结核药盐酸乙胺丁酯。

相关文献及参考

  • For an example of condensation with an aldehyde (Henry reaction), promoted by KF in IPA, see: Org. Synth. Coll., 9, 242 (1998). Other conditions recommended for the Henry reaction include the use of the basic ion-exchange resin Amberlyst® A-21, A17956: Liebigs Ann. Chem., 1994, 1235; J. Org. Chem., 59, 5466 (1994); Tetrahedron, 52, 1677 (1996), and aqueous NaOH in the presence of a surfactant-type catalyst (hexadecyltrimethylammmonium chloride): J. Org. Chem., 62, 425 (1997). Improved yields in condensations with cycloalkanones were obtained by the use of high pressure: Angew. Chem. Int. Ed., 23, 617 (1984).
  • Short: II/27B
  • Merck:14,6627 Beilstein:1,115
  • For discussion of conditions for formation and chemistry of the ɑɑ- and ɑß- dilithio derivatives, see: Encyclopedia of Reagents for Organic Synthesis, L. A. Paquette, Ed., Wiley, Chichester (1995), vol. 3, p. 1946.
  • Merck:14,6627
  • Primary nitro-compounds are converted to nitrile oxides by reaction with POCl3 in pyridine: J. Org. Chem., 42, 3956 (1977). For example of 1,3-dipolar addition reaction of the nitrile oxide to give an isoxazole, see Ethyl­ (E)-3-(1-pyrrolidinyl)­crotonate, L00461.

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H302 Harmful if swallowed 吞食有害
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H302+H312
  • H331 Toxic if inhaled 吸入中毒
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn
RTECSTZ5075000
Precautionary statements
  • P307+P311
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P303+P361+P353
  • P337+P313
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P301+P312+P330
Signal word Danger
UN Number UN 2608 3/PG 3 UN2608
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R10 Flammable 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
Safety Statements
Packing GroupIII
Hazard Class3
Storage condition -20 Flammables area
Warnings 危化品目录(2015)
TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 5000 ppm/3H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 22,315,1940

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human
DOSE/DURATION           : 150 ppm
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - conjunctive irritation
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 28,262,1946

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 550 mg/kg
TOXIC EFFECTS :
   Blood - methemoglobinemia-carboxyhemoglobin
REFERENCE :
   BSPLA9 Bulletin de la Societe de Pharmacie de Lille.  (Societe de Pharmacie
   du Lille, 3, rue du Professeur Laguesse, 59045 Lille, Franch)  V.1- 1945- 
   Volume(issue)/page/year: (4),131,1972

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3100 ppm/8H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National
   Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair
   Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015)
   Volu

TYPE OF TEST            : LD50 - Let

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 1 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 221,263,1989

Restrict 危险品

其他信息

  • 储运特性:库房通风低温干燥; 与氧化剂分开储运
  • 方法一:1.由丙烷经硝化而得。先将丙烷放在预热器内于430-450℃进行预热,然后引入内衬玻璃或二氧化硅的反应塔内。反应塔有几处可向内部丙烷气喷注75%硝酸,反应温度调节到390-440℃,压力0.69-0.86MPa,丙烷与硝酸的摩尔比为5:1,由反应塔出来的气体,经冷凝器冷却,硝基丙烷与稀硝酸即凝缩。而丙烷与气态氧化物则由回收塔回收,丙烷循环使用。所得产品为硝基甲烷10%-30%,硝基乙烷20%-25%,1-硝基丙烷25%,2-硝基丙烷40%。该品也可经丙烯硝化得到。2.由丙烯等不饱和烃经气相或液相硝化,或饱和烃液相硝化亦可制得硝基丙烷。
  • 有类似氯仿的气味。
  • 1-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 N0248 1-硝基丙烷 1-Nitropropane 500G 488元 2014/06/02 N0248 1-硝基丙烷 1-Nitropropane 25G 124元 2010/06/21 128905000 1-硝基丙烷 1-Nitropropane 98% 500 GR 441元
  • 图谱信息:1-硝基丙烷(108-03-2)红外图谱(IR1) 1-硝基丙烷(108-03-2)Raman光谱 1-硝基丙烷(108-03-2)核磁图( 1 HNMR) 1-硝基丙烷(108-03-2)质谱(MS) 1-硝基丙烷(108-03-2)红外图谱(IR2) 1-硝基丙烷(108-03-2)核磁图( 13 CNMR)
  • 爆炸物危险特性:与空气混合可爆
  • 用途二:主要用作溶剂和中间体,喷气发动机燃料,喷雾剂等。(1)作为溶剂,对醇;酮;醚;酯,以及染料;油脂;蜡;树脂;合成橡胶均有很强的溶解力。与酒精并用是乙酸纤维的强力溶剂;与酒精;芒烃并用可代替氯化烃类溶剂溶解三乙酸纤维。作为低温溶剂可以溶解氯乙烯-乙酸乙烯的共聚物,还可用于溶解硝酸纤维。(2)为胺类;羟胺类;硝基羟基化合物;氯化硝基烷烃等化工产品的中间体,如硝基丙烷与甲烷在硫酸存在下水解,可得硫酸羟胺与丙酸。在医药工业中用于生产抗结核药盐酸乙胺丁酯。
  • Sigma Aldrich:108-03-2(sigmaaldrich)
  • 蒸气密度:3.1 (vs air)
  • 类别:易燃液体
  • 可燃性危险特性:易燃; 高热放出
  • 用途一:主要用作溶剂和中间体,喷气发动机燃料,喷雾剂等。(1)作为溶剂,对醇、酮、醚、酯,以及染料、油脂、蜡、树脂、合成橡胶均有很强的溶解力。与酒精并用是乙酸纤维的强力溶剂;与酒精、芒烃并用可代替氯化烃类溶剂溶解三乙酸纤维。作为低温溶剂可以溶解氯乙烯-乙酸乙烯的共聚物,还可用于溶解硝酸纤维。(2)为胺类、羟胺类、硝基羟基化合物、氯化硝基烷烃等化工产品的中间体,如硝基丙烷与甲烷在硫酸存在下水解,可得硫酸羟胺与丙酸。在医药工业中用于生产抗结核药盐酸乙胺丁酯。
  • 海关编码:29042000
  • 急性毒性:口服-大鼠 LD50: 455 毫克/公斤
  • TCI Shanghai:1-硝基丙烷 1-Nitropropane,>;98.0%(GC)(108-03-2)
  • Alfa Aesar:1-硝基丙烷,98% 1-Nitropropane, 98%(108-03-2)
  • Acros Organics:1-硝基丙烷 1-Nitropropane, 98%(108-03-2)
  • 下游产品:异丁酸 --> 硝基乙烷 --> 2-硝基丙烷
  • 职业标准:TWA 90 毫克/立方米; STEL 150 毫克/立方米
  • 毒性分级:高毒
  • MSDS 信息:1-硝基丙烷(108-03-2).msds
  • 上游原料:硝酸 --> 硝基甲烷 --> 硝基乙烷 --> 2-硝基丙烷
  • 外观性质:无色透明液体。
  • 灭火剂:干粉, 二氧化碳, 砂土
  • MOL 文件:108-03-2.mol

系列性分类


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