4-Bromophenylisothiocyanate 4-溴苯基异硫氰酸酯

CAS 1985-12-2 MFCD00004808

化学结构图

1985-12-2
SMILES: S=C=Nc1ccc(Br)cc1

化学属性

Mol. FormulaC7H4BrNS
Mol. Weight214.08 g/mol
Melting Point56-58
Flash Point>110°(230°F)
TSCANo
Boiling Point144-145°/5mm

别名和识别编码

Chemical Name4-Bromophenylisothiocyanate
CAS Number1985-12-2
Alfabeta NameBROMOPHENYLISOTHIOCYANATE 4-
MDL NumberMFCD00004808
Synonym (p-bromophenyl)isothiocyanate 1-Bromo-4-isothiocyanatobenzene 1-bromo-4-isothiocyanato-benzene 4-BROMOPHENYL ISOTHIOCYANATE 4-Brom-phenylisothiocyanat 4-Bromophenyl Isothiocyanate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID16133
Beilstein Registry Number878549
EC Number000-000-0
Reaxys-RN878549
Chemical Name Translation4-溴苯基异硫氰酸酯
InChIKeyXQACWEBGSZBLRG-UHFFFAOYSA-N
Wiswesser Line NotationSCNR DE
LabNetwork Molecule IDLN00115447
InChIInChI=1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Molecular Biology, Organic Building Blocks, Protein Sequencing, Protein Structural Analysis, Proteomics, Reagents for Protein Sequencing, Sulfur Compounds, Thiocyanates/Isothiocyanates
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Protein Sequencing, Protein Structural Analysis, Proteomics, Reagents for Protein Sequencing, Sulfur Compounds, Thiocyanates/Isothiocyanates
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiocyanates/Isothiocyanates

相关文献及参考

  • Short: IV/1a Title: Densities of Liquid Systems: Nonaqueous Systems and Ternary Aqueous Systems Author: Lacmann, R.; Synowietz, C. Editor: Schäfer, Kl. Source: Landolt-Börnstein, New Series Volume: IV/1a Year: 1974 ISBN: 3-540-06269-6 ISBN: 978-3-540-06269-1 Internet Resource: DOI:10.1007/b20003 RefComment: X, 716 pages. Hardcover Abstract: Volume IV/1 contains information on the densities of liquid systems. It may be considered as a supplement to volume II/1 of the 6th Edition, which contains only a few data on nonaqueous systems. Data are not listed for all systems but primarily for those of greater interest where data for a larger range of concentrations were available.

安全信息

Warnings MOISTURE SENSITIVE, LACHRYMATOR, CORROSIVE
WGK Germany3
GHS Symbol
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。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P285 In case of inadequate ventilation wear respiratory protection. 在通风不足的情况下,戴呼吸防护。
  • P301+P330+P331
  • P303+P361+P353+P310+P363
  • P304+P340+P312
  • P305+P351+P338
  • P342+P311
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
  • H302+H312+H332
  • H302+H332
  • 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
RTECSNX8400000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Signal word Danger
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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);
Packing GroupIII
UN Number 1759 3335 UN1759
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
  • R42 May cause sensitisation by inhalation 吸入会产生过敏反应
Storage condition Moisture Sensitive Refrigerator (+4°C)
Hazard Codes 9
Hazard Class8
TYPE OF TEST            : LDLo - Lowest published lethal dose
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 :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 21,121,1971

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 19,558,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - muscle weakness
   Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 5,741,1967

其他信息

  • 可燃性危险特性:热分解排出有毒溴化物, 氮氧化物和硫氧化物烟雾
  • 类别:有毒物质
  • 毒性分级:高毒
  • Acros Organics:4-溴苯基异硫氰酸酯 4-Bromophenyl isothiocyanate, 98%(1985-12-2)
  • 图谱信息:4-溴苯基异硫氰酸酯(1985-12-2)质谱(MS) 4-溴苯基异硫氰酸酯(1985-12-2)核磁图( 1 HNMR) 4-溴苯基异硫氰酸酯(1985-12-2)核磁图( 13 CNMR) 4-溴苯基异硫氰酸酯(1985-12-2)红外图谱(IR1) 4-溴苯基异硫氰酸酯(1985-12-2)红外图谱(IR2)
  • 储运特性:库房通风低温干燥; 与食品原料类分开存放
  • 急性毒性:口服-大鼠 LD50: 400 毫克/公斤; 腹腔-小鼠 LDL0: 100 毫克/公斤
  • Sigma Aldrich:1985-12-2(sigmaaldrich)
  • TCI Shanghai:4-溴苯基异硫氰酸酯 4-Bromophenyl Isothiocyanate,>;97.0%(GC)(1985-12-2)
  • 灭火剂:水,干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • Hazard Note:Harmful/Irritant
  • F:10-21
  • 4-溴苯基异硫氰酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0526 异硫氰酸4-溴苯酯 4-Bromophenyl Isothiocyanate 5G 396元 2014/06/02 I0526 异硫氰酸4-溴苯酯 4-Bromophenyl Isothiocyanate 25G 1180元 2010/06/21 SB01925EB 4-溴苯基异硫氰酸酯 4-bromophenyl isothiocyanate 25 GR 1350元
  • Alfa Aesar:4-溴苯基硫代异氰酸酯,97% 4-Bromophenyl isothiocyanate, 97%(1985-12-2)
  • 敏感性:Moisture Sensitive
  • MOL 文件:1985-12-2.mol

系列性分类


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