Isobutylnitrite 亚硝酸异丁酯

CAS 542-56-3 MFCD00002056

化学结构图

542-56-3
SMILES: CC(C)CON=O

化学属性

Mol. FormulaC4 H9 N O2
Mol. Weight103.12
Refractive index1.3700 to 1.3730
Boiling Point
Density0.87
Flash Point-
TSCAYes
Solubility<0.1 G/100 ML (19 ºC)
Melting PointNo Data Available

别名和识别编码

Chemical NameIsobutylnitrite
CAS Number542-56-3
PubChem Substance ID10958
EC Number208-819-7
MDL Number-
Synonym 2-METHYLPROPYL NITRITE 2-Methylpropyl Nitrite IBN ISOBUTYL NITRITE (SS-METHYLPROPYL NITRITE) Isobutyl Nitrite {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Reaxys-RN1699518
Merck Number5149
Beilstein Registry Number1699518
Chemical Name Translation亚硝酸异丁酯
Wiswesser Line NotationONO1Y1&1
LabNetwork Molecule IDLN00225642
InChIInChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3
Canonical SMILES-
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分类

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

相关文献及参考

  • Arylamines have been converted to aryl iodides by treatment with isobutyl nitrite in the presence of diiodomethane: J. Org. Chem., 55, 2543 (1990). See also Isopentyl­ nitrite, L13909, and tert-Butyl­ nitrite, L16135.
  • Short: II/19b
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany3
Hazard Codes 3 F,T F,T,Xi F;T
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H332 Harmful if inhaled 吸入有害
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
  • H350 May cause cancer 可能致癌
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRA0805000
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。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312+P330
  • P303+P361+P353
  • P308+P313
  • P370+P378
  • P403+P233
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
UN Number 2351
Storage condition +4°C 0-10 0-10°C 0-6°C 4 4°C, Inert atmosphere 4℃ Air & Light Sensitive
Risk Statements
  • R11 Highly flammable 非常易燃
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R45 May cause cancer 可能致癌
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
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）；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
Packing GroupII
Hazard Class3
Warnings 危化品目录(2015) 危险化学品 
TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 150 ppm/6H/2Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-448,1996

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 150 ppm/6H/2Y-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-448,1996

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 410 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 41,1583,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 120 mg/kg
TOXIC EFFECTS :
   Blood - methemoglobinemia-carboxyhemoglobin
   Vascular - BP lowering not characterized in autonomic section
   Cardiac - change in rate
REFERENCE :
   AIMEAS Annals of Internal Medicine.  (American College of Physicians, 4200
   Pine St., Philadelphia, PA 19104)  V.1-    1927-  Volume(issue)/page/year:
   92,637,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 205 mg/kg
TOXIC EFFECTS :
   Liver - other changes
   Blood - methemoglobinemia-carboxyhemoglobin
REFERENCE :
   RCSADO Research Communications in Substances Abuse.  (PJD Pub. Ltd., P.O.Box
   966, Westbury, NY 11590) V.1-    1980-  Volume(issue)/page/year: 3,233,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 184 mg/kg
TOXIC EFFECTS :
   Liver - other changes
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: 26,75,1979

TYPE OF TEST            : LC50 - Lethal

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   BSIBAC Bolletino della Societe Italiana di Biologia Sperimentale.  (Casa
   Editrice Idelson, Via A. de Gasperi, 55, 80133 Naples, Italy)  V.2- 1927- 
   Volume(issue)/page/year: 56,816,1980

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 75900 nmol/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   14,115,1989

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 333 ug/plate
REFERENCE :
   NTPTB* NTP Technical Bulletin.  (National Toxicology Program, Landow Bldg.
   3A-06, 7910 Woodmont Ave., Bethesda, MD 20205)  Volume(issue)/page/year:
   APR1982

其他信息

  • Acros Organics:亚硝酸异丁酯 Isobutylnitrite, stabilized, 94%(542-56-3)
  • MSDS 信息:亚硝酸异丁酯(542-56-3).msds
  • 毒性分级:高毒
  • 有机原料:亚硝酸异丁酯是一种有机原料，可用作溶剂和有机合成，属亚硝酸醋类化合物，亚硝酸醋类化合物的主要作用是使血管扩张，引起血压下降及心动加速，但大剂量使用可引起高铁血红蛋白血症。其中亚硝酸异丁醋具有催情作用，类似于可卡因、海洛因等药物。在化妆品的生产制作过程中，由于原料问题有可能将这两种物质（亚硝酸异丁酯和亚硝酸戊酯）带人化妆品中，接触后对眼睛、皮肤等有刺激性，更进一步可发展为皮肤过敏，并有致癌的危险等；我国化妆品卫生规范中规定，亚硝酸异丁醋为化妆品中的禁用组分，国内外关于这两种亚硝酸醋类化合物的检测报道主要集中在生物样品中演习，方法主要涉及气相色谱法。 图1为气相色谱法测定化妆品中亚硝酸异丁醋和亚硝酸戊酯含量。
  • Alfa Aesar:亚硝酸异丁酯,95%,stab.withpotassiumcarbonate Isobutyl nitrite, 95%, stab. with potassium carbonate(542-56-3)
  • TCI Shanghai:亚硝酸异丁酯 Isobutyl Nitrite,>;95.0%(GC)(542-56-3)
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类分开存放
  • Hazard Note:Irritant/Highly Flammable/Keep Cold/Air Sensitive/Light Sensitive
  • MOL 文件:542-56-3.mol
  • 急性毒性:口服- 大鼠 LD50: 410 毫克/ 公斤; 口服- 小鼠 LD50: 205 毫克/ 公斤
  • 外观性质:无色液体。
  • 敏感性:Light Sensitive/Air Sensitive
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 亚硝酸异丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 I0528 亚硝酸异丁酯 Isobutyl Nitrite 500G 1150元 2011/04/16 I0528 亚硝酸异丁酯 Isobutyl Nitrite 25G 258元 2010/05/25 L05259 亚硝酸异丁酯, 95%, stab. with potassium carbonate Isobutyl nitrite, 95%, stab. with potassium carbonate 25ml 202元
  • Sigma Aldrich:542-56-3(sigmaaldrich)
  • 类别:易燃液体
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; ; 燃烧产生有毒氮氧化物烟雾;遇光产生有毒氧化氮气体

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. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  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. Organic Nitrates/Nitrites - Nitrogen Compounds
  1. Functional Group 官能团索引
  2. nitrite

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