Acetone Cyanohydrin 丙酮氰醇

CAS 75-86-5 MFCD00004455

化学结构图

75-86-5
SMILES: CC(C)(O)C#N

化学属性

Mol. FormulaC4H7NO
Mol. Weight85.12
Refractive indexn20/D 1.399(lit.)
Boiling Point82 ºC (23 MMHG)
Density0.932
Melting Point-19 ºC
Vapor Pressure0.3 psi ( 20 °C)
Flash Point73 ºC
SolubilityMISCIBLE

别名和识别编码

Chemical NameAcetone Cyanohydrin
Synonym {uni_hamburg} AKOS BBS-00004270 2 2-hydroxy-2-methyl-Propanenitrile 2-Hydroxyisobuttersäurenitril 2-Hydroxy-2-methylpropionitrile 2-羟基-2-甲基丙腈 2-propanone,cyanohydrin α-羟基异丁腈 2-羟基异丁腈 α-hydroxy-isobutyronitrile Acetoncianhidrinei (roumanian) 2-hydroxy 2-methyl-lactonitril 2-Cyano-2-propanol 2-Hydroxy-2-methylpropannitril 2-羟基异丁腈 Acetone cyanohydrine 丙酮合氰化氫 Acetone cyanhydrin Acetoncyanhydrin acetoncianhidrinei(roumanian) ALPHA-HYDROXYISOBUTYRONITRILE 2-methyllacetonitrile 2-甲基-2-羟基丙腈 Usaf rh-8 α-Hydroxyisobutyronitrile 2-HYDROXY-2-METHYLPR 2-METHYL-LACTONITRILE 丙酮合氰醇 氰基乙酰肼(禁运) α-羟基异丁腈 Cyanhydrine d'acetone Lactonitrile, 2-methyl- 2-Methyllactonitrile 2-cyanopropan-2-ol 2-Hydroxy-2-methylpropanenitrile Acetonecyanhydrine Acetoncianidrina 2-Hydroxy-2-methylpropionitrile; 2-Hydroxyisobutyronitrile; 2-Methyllactonitrile ACETONE CYANOHYDRIN 2-hydroxy-2-methylpropiononitrile 2-甲基乳腈 丙酮氰醇 丙酮合氰化氢 Acetone cyanohydrin 2-Propanone, cyanohydrin 2-hydroxy-2-methyl-propanenitril Α- 2-Methyl-2-hydroxypropionitrile 2-Cyano-2-hydroxypropane 2-Hydroxyisobutyronitrile 2-Cyanopropan-2-ol Acetonkyanhydrin 氰丙醇 Propanenitrile, 2-hydroxy-2-methyl-
CAS Number75-86-5
PubChem Substance ID6406
EC Number200-909-4
Beilstein Registry Number0605391
MDL NumberMFCD00004455
Chemical Name Translation丙酮氰醇
Merck Number13,68
Wiswesser Line NotationQX1&1&CN
InChIInChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
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分类

  • Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; alcohol; 1fragment
  • {SA} Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Merck 14 ,67
  • Beil. 3 ,IV,785
  • Fieser 1 ,5 / Fieser 8 ,409 / Fieser 11 ,1
  • Aldrich MSDS 1 , 12:C / Corp MSDS 1 (1), 21:C / FT-IR 2 (1), 1442:D / FT-IR 1 (1), 852:D / IR-Spectra (2), 451:E / IR-Spectra (3), 515:E / NMR-Reference 2 (1), 709:C / RegBook 1 (1), 999:J / Sax 6 , 1867 / Structure Index 1 , 156:A:3
  • 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: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b8553

安全信息

GHS Symbol
WGK Germany3
Hazard Codes T+,N T+;N
Hazard statements
  • H330 Fatal if inhaled 吸入致命
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H310 Fatal in contact with skin 皮肤接触致命
  • H300 Fatal if swallowed 吞食致命
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSOD9275000
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P301+P310
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • 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。
  • 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。
Signal word Danger
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S7/9 Keep container tightly closed and in a well-ventilated place 保持容器严格密闭,置于通风良好的场所;
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • 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
  • R26/27/28 Very toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有剧毒
  • R50 Very toxic to aquatic organisms 对水生生物极毒
  • R50/53
UN Number UN 1541 6.1/PG 1 1541
Packing GroupI
Hazard Class6.1(a)
Restrict 剧毒 {} 剧毒化学品
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 17 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 13500 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB214-270

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : LC30 - Lethal Concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 70 mg/m3/2H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F.

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

其他信息

  • 用途二:用于有机合成、农药制备
  • 用途三:重要有机合成中间体,用于合成甲基丙烯酸甲酯、2-甲基异丁酸乙酯、偶氮二异丁腈、杀虫剂以及金属分离提炼剂。
  • MSDS 信息:2-羟基异丁腈(75-86-5).msds
  • 常规方法:本品的生产和使用常在同一场所,不需转运。按有毒化学品规定贮运。
  • 可燃性危险特性:明火可燃;受热分解; 燃烧释放有毒氮氧化物烟雾
  • 方法一:氰化钠与浓硫酸的作用发生氢氰酸,氢氰酸经精馏提纯后与丙酮反应生成丙酮氰醇:原料氢氰酸也可以利用丙烯腈的副产物。实验室合成或试剂生产与上述工艺路线相同,操作方法如下:在5L三口烧瓶中,加入由500g(9.7mol)粉状的氰化钠和1.2L水配成的溶液及900ml(713g,12.3mol)丙酮。把烧瓶置于冰浴中激烈搅拌。当温度降到15℃时慢慢加入2.1L(8.5mol)40%硫酸,在3h内加完并保持10-20℃。加完酸后继续搅拌15min。静置让盐沉淀下来。将生成的丙酮氰醇用倾析法倒出,使其与水层分离。滤出水层的硫酸氰钠,并用丙酮洗涤。合并滤液和洗液,并用乙醚提取。将提取液与原先分出的丙酮氰醇合并。用无水硫酸钠干燥。在水浴上蒸去乙醚和丙酮。残余物减压蒸馏,在2.0-2.67kPa下,由集78-82℃馏分。得产品640-650g,产率77-78%。产品规格:作为有机玻璃生产的中间体,是棕黄色液体,含量≥93%。原料消耗定额:氰化纳(> 93%)557kg/t、丙酮(98%)650kg/t、硫酸(93%)704kg/t。
  • 类别:有毒物品
  • 毒性分级:剧毒
  • MOL 文件:75-86-5.mol
  • 海关编码:29269095
  • 图谱信息:丙酮氰醇(75-86-5)核磁图( 1 HNMR) 丙酮氰醇(75-86-5)核磁图( 13 CNMR) 丙酮氰醇(75-86-5)红外图谱(IR1) 丙酮氰醇(75-86-5)质谱(MS)
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
  • 灭火剂:干粉、泡沫、二氧化碳、砂土。禁用酸碱灭火剂。
  • 外观性质:无色或亮黄色液体。
  • 蒸气压:0.3 psi ( 20 °C)
  • 防护措施:对呼吸、消化系统均有很大毒性,皮肤吸收后也会产生中等毒性。小鼠处于蒸气中在90秒内即死亡。生产车间应有良好通风,操作人员应穿戴特殊的防护衣帽,身体任何一部分均不得暴露在外。中毒者应立即医治。大鼠经口LD50为170ml/kg。
  • 用途一:用于制甲基丙烯酸甲酯、偶氮二异丁腈等,还用于制杀虫剂
  • 急性毒性:口服-大鼠 LD50: 19.3 毫克/公斤;腹腔-小鼠 LD50: 1 毫克/公斤
  • 职业标准:STEL 0.9 毫克/立方米
  • Sigma Aldrich:75-86-5(sigmaaldrich)
  • 丙酮氰醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80000527 丙酮氰醇(剧毒) 250ml 35.1元
  • 下游产品:偶氮二异丁腈 --> 2-甲基丙烯酸 --> 甲基丙烯酸甲酯 --> 甲基丙烯酸丁酯 --> 甲基丙烯酰胺 --> 甲基丙烯酸乙酯 --> 甲基丙烯酸异丁酯 --> 5,5-二甲基海因 --> N-氰基-N'-甲基乙脒 --> 2-甲基丙氨酸
  • 上游原料:丙酮 --> 丙烯腈 --> 氢氰酸 --> 三口烧瓶 --> AVERGE MW~350000 BY GPC .TG(DSC)122

系列性分类


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