Trimethylene Bromocyanide 4-溴丁腈

CAS 5332-06-9 MFCD00001971

化学结构图

5332-06-9
SMILES: N#CCCCBr

化学属性

Mol. FormulaC4H6BrN
Mol. Weight148.00
Refractive index1.4760 to 1.4790
Boiling Point207°C at 760 mmHg
Density1.489
Flash Point103°C
TSCAYes

别名和识别编码

Chemical NameTrimethylene Bromocyanide
CAS Number5332-06-9
PubChem Substance ID21412
EC Number226-236-6
Beilstein Registry Number956577
MDL NumberMFCD00001971
Reaxys-RN956577
Synonym 4-Bromobutyronitrile {LY} 4-Bromobutyronitrile {} {LY} 4-Bromobutyronitrile {} {} {LY} 4-Bromobutyronitrile {} {} {} {LY} 4-Bromobutyronitrile {} {} {} {} {LY} 4-Bromobutyronitrile {} {} {} {} {} {LY} 4-Bromobutyronitrile {} {} {} {} {} {} {LY} 4-Bromobutyronitrile {} {} {} {} {} {} {} {LY} 4-Bromobutyronitrile {} {} {} {} {} {} {} {} {LY} 4-Bromobutyronitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobutyronitrile {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobutyronitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobutyronitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobutyronitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobutyronitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobutyronitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobutyronitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobutyr
Alfabeta NameBROMOBUTANENITRILE 4-
Chemical Name Translation4-溴丁腈
InChIKeyCQPGDDAKTTWVDD-UHFFFAOYSA-N
Wiswesser Line NotationNC3E
LabNetwork Molecule IDLN00183698
InChIInChI=1S/C4H6BrN/c5-3-1-2-4-6/h1-3H2
Canonical SMILESBrCCCC#N
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分类

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

相关文献及参考

  • 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 included as far as they are available. In this third subvolume, the structure of molecules containing three for four carbon atoms are listed.
  • 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
  • Aldrich MSDS 1 , 238:C / Corp MSDS 1 (1), 510:C / FT-IR 2 (1), 1439:D / FT-IR 1 (1), 850:D / FT-NMR 1 (1), 1369:B / IR-Spectra (3), 507:E / IR-Spectra (2), 450:G / NMR-Reference 2 (1), 708:A / RegBook 1 (1), 997:I / Sax 6 , 523 / Structure Index 1 , 155:C:8 / Vapor Phase 3 , 809:B
  • Beil. 2 ,IV,836

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 6.1 Xn
RTECSET8925000
Precautionary statements
  • 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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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+P310
  • P301+P310+P330
  • P301+P312
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • 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)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
UN Number 3276
Packing GroupIII
Warnings IRRITANT
Hazard Class6.1
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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

其他信息

  • 类别:有毒物质
  • 毒性分级:高毒
  • TCI Shanghai:4-溴丁腈 4-Bromobutyronitrile,>;95.0%(GC)(5332-06-9)
  • Alfa Aesar:4-溴丁腈,97% 4-Bromobutyronitrile, 97%(5332-06-9)
  • Acros Organics:4-溴丁腈 4-Bromobutyronitrile, 97%(5332-06-9)
  • 图谱信息:4-溴丁腈丙烯酸酯(5332-06-9)红外图谱(IR1) 4-溴丁腈丙烯酸酯(5332-06-9)核磁图( 1 HNMR) 4-溴丁腈丙烯酸酯(5332-06-9)核磁图( 13 CNMR) 4-溴丁腈丙烯酸酯(5332-06-9)质谱(MS)
  • F:9
  • 可燃性危险特性:热分解排出有毒氰化物,氮氧化物,溴化物烟雾
  • MOL 文件:5332-06-9.mol
  • Sigma Aldrich:5332-06-9(sigmaaldrich)
  • 储运特性:库房通风低温干燥; 与食品原料分开存放
  • 急性毒性:腹腔-小鼠 LD50: 100 毫克/公斤
  • 灭火剂:水,泡沫,二氧化碳,干粉,沙土
  • 4-溴丁腈丙烯酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 106800250 4-溴丁腈丙烯酸酯 4-Bromobutyronitrile 97% 25 ML 1878元 2010/06/21 106800050 4-溴丁腈丙烯酸酯 4-Bromobutyronitrile 97% 5 ML 564元 2010/05/25 A10674 4-溴丁腈, 97% 4-Bromobutyronitrile, 97% 250g 5754元

系列性分类