4-Bromobenzonitrile 4-溴苯甲腈

CAS 623-00-7 MFCD00001811

化学结构图

623-00-7
SMILES: N#Cc1ccc(Br)cc1

化学属性

Mol. FormulaC7H4BrN
Mol. Weight182
Boiling Point235-237
Melting Point110-115
Density1.562
Flash Point130°(266°F)
TSCANo
Appearance 白色结晶。熔点111-114℃,沸点236℃。

别名和识别编码

Chemical Name4-Bromobenzonitrile
CAS Number623-00-7
Alfabeta NameBROMOBENZONITRILE 4-
MDL NumberMFCD00001811
Synonym 1-Bromo-4-cyanobenzene 4-BROMO-4'-CYANOBENZENE 4-BROMOBENZONITRILE 4-BROMOCYANOBENZENE 4-Brombenzoesäurenitril 4-Bromobenzonitrile 4-Bromobenzonitrile 99+% 4-Bromocyanobenzene 4-Cyanobromobenzene 4-bromo-benzonitril 4-bromobenzoic acid nitrile 4-bromobenzonitrile 4-cyanobromobenzene 4-cyanophenyl bromide 4-溴苄腈 4-溴苯甲腈,98+% p-Benzobromonitrile p-Bromobenzonitrile p-Bromocyanobenzene BROMOBENZONITRILE-4 Benzonitrile, 4-bromo- Benzonitrile, p-bromo- p-Bromobenzonitrile 4-Bromobenzonitrile p-Cyanobromobenzene 對溴苯甲腈
EC Number210-764-9
Beilstein Registry Number2041518
PubChem Substance ID87564346
Chemical Name Translation4-溴苯甲腈
Reaxys-RN2041518
InChIKeyHQSCPPCMBMFJJN-UHFFFAOYSA-N
Wiswesser Line NotationNCR DE
LabNetwork Molecule IDLN00009009
InChIInChI=1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, C6 to C7, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: III/20b Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei Cl ... Rb Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20b Year: 1988 Keyword: NQR ISBN: 3-540-18483-X ISBN: 978-3-540-18483-6 Internet Resource: DOI:10.1007/b86664 RefComment: IX,717 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/31b Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei Zn ... Bi. Diagrams, Indexes Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/31b Year: 1993 Keyword: NQR ISBN: 3-540-55147-6 ISBN: 978-3-540-55147-8 Internet Resource: DOI:10.1007/b46097 RefComment: 147 figs., VIII, 347 pages. Hardcover Abstract: Volume III/31 continues the compilation of nuclear quadrupole resonance spectroscopy data of solid substances which started in with volume III/20 in 1987 covering the literature from the beginning of nuclear quadrupole resonance spectroscopy in 1951 to 1982 and containing the data for 8000 substances in the solid state, distributed among three subvolumes III/20 a, b, and c. Volume III/31 covers the literature published in the period from the end of 1982 through the end of 1989. Included are the data for substances studied for the first time, as well as data for substances already present in the previous volume III/20 if the data published there could be completed or improved by new studies. In total there are 2500 substances in volume III/31, showing the scope and significanc

安全信息

Warnings IRRITANT, TOXIC
Signal word Danger
GHS Symbol
WGK Germany2
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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
  • R22 Harmful if swallowed 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
  • R52/53
Precautionary statements
  • 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。
  • 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
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
  • 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
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
RTECSDI2460000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Packing GroupIII
UN Number 3439
Hazard Codes 6.1 Xn Xn,T,Xi
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 237 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 21,906,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 41,41,1986

其他信息

  • 图谱信息:4-溴苯腈(623-00-7)Raman光谱 4-溴苯腈(623-00-7)核磁图( 1 HNMR) 4-溴苯腈(623-00-7)质谱(MS) 4-溴苯腈(623-00-7)红外图谱(IR2) 4-溴苯腈(623-00-7)红外图谱(IR1) 4-溴苯腈(623-00-7)核磁图( 13 CNMR)
  • MSDS 信息:4-Bromobenzoic acid nitrile(623-00-7).msds
  • 4-溴苯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1426 4-溴苯甲腈 4-Bromobenzonitrile 25G 983元 2014/06/02 B1426 4-溴苯甲腈 4-Bromobenzonitrile 250G 5570元 2010/06/21 106710100 4-溴苯腈 4-Bromobenzonitrile 98% 10 GR 466元
  • Hazard Note:Toxic/Irritant
  • Alfa Aesar:4-溴苯甲腈,98+% 4-Bromobenzonitrile, 98+%(623-00-7)
  • Sigma Aldrich:623-00-7(sigmaaldrich)
  • 海关编码:29269095
  • 下游产品:4-氰基苯乙烯 --> 1-Boc-4-(4-甲氧基甲酰苯基)哌嗪 --> 4-(4-羧基苯基)哌嗪-1-羧酸叔丁酯 --> 4-溴苄脒盐酸盐 --> 2-氰基-5-溴-苯硼酸新戊二醇环酯 --> 4-氰基苯硼酸
  • TCI Shanghai:4-溴苯甲腈 4-Bromobenzonitrile,>;97.0%(GC)(623-00-7)
  • Acros Organics:4-溴苯腈 4-Bromobenzonitrile, 98%(623-00-7)
  • 检测方法:HPLC,NMR
  • MOL 文件:623-00-7.mol

系列性分类


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