Benzoic acid, 3,​3'-​dithiobis[6-​nitro- 5,5'-二硫双(2-硝基苯甲酸)

CAS 69-78-3 MFCD00007140

化学结构图

69-78-3
SMILES: O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-]

化学属性

Mol. FormulaC14H8N2O8S2
Mol. Weight396.35
Density1.6412
Melting Point243-245°C
TSCAYes
Stability热敏感
SolubilitySoluble in 100% ethanol, dioxane, and Phosphate buffer.
Boiling Point671.9°C at 760 mmHg
Flash Point360.1°C

别名和识别编码

Chemical NameBenzoic acid, 3,​3'-​dithiobis[6-​nitro-
Synonym DTNB {LY} DTNB {} {LY} DTNB {} {} {LY} DTNB {} {} {} {LY} DTNB {} {} {} {} {LY} DTNB {} {} {} {} {} {LY} DTNB {} {} {} {} {} {} {LY} DTNB {} {} {} {} {} {} {} {LY} DTNB {} {} {} {} {} {} {} {} {LY} DTNB {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DTNB {} {} {} {} {} {} {} {} {} {} {LY} DTNB {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DTNB {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DTNB {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DTNB {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DTNB {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DTNB {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DTNB {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DTNB {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00007140
CAS Number69-78-3
EC Number200-714-4
Beilstein Registry Number1896821
PubChem Substance ID87567535
Alfabeta NameCARBOXYNITROPHENYLDITHIONITROBENZOICACID 5342[]()------
Chemical Name Translation5,5'-二硫双(2-硝基苯甲酸)
Reaxys-RN1896821
Merck Number3551
LabNetwork Molecule IDLN00182824
InChIInChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)
Canonical SMILESO=C(O)C1=C([N+]([O-])=O)C=CC(SSC2=CC(C(O)=O)=C([N+]([O-])=O)C=C2)=C1
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分类

  • {SNA} Amino Acid Analysis,
  • {SNA} Building Blocks, C13 to C42+, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C13 to C42+, Carbonyl Compounds,
  • {SNA} Amino Acid Analysis, Amino Acid Analysis Reagents, Analytical and Industrial Enzymes, Chemical Synthesis, Cholinesterase and Organophosphate Detection Reagents, Detection Reagents,
  • {SNA} Amino Acid Analysis, Amino Acid Analysis Reagents, Analytical and Industrial Enzymes, Biochemicals and Reagents, Cholinesterase and Organophosphate Detection Reagents, Detection Reagents, Enzymes, Inhibitors, and Substrates, Peptide Analysis and Characterization, Peptides
  • {SNA} Amino Acid An

产品应用

  • 巯基测定,是测定蛋白质、多肽和组织中巯基的灵敏试剂。也用于有机磷农药中毒的监测(胆碱酯酶测定)。

相关文献及参考

  • Reacts with free thiol groups to form a highly colored (yellow) thiolate anion: Arch. Biochem. Biophys., 82, 70 (1959); used for quantitative determination of thiols. Also used in chromogenic assay of acetylcholinesterase: Enzyme Assays, R. Eisenthal and M. J. Danson, Eds., OUP, Oxford (1992), p81.

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • 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 Wear suitable protective clothing 穿戴适当的防护服;
  • S37 Wear suitable gloves 戴适当手套;
  • 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;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+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
RTECSDG9650000
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Warnings IRRITANT
Storage condition 2-8°C {LY} 2-8°C Store at RT. {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2080 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: 21,284,1971

其他信息

  • Highlights:
  • Highlights: ?Sulfhydryl assay – reacts quantitatively with free (reduced) sulfhydryl groups (–SH) to yield detectable TNB product ?Colorimetric detection – colored product enables spectrophotometric measurement in cuvettes or microplates (λmax = 412nm; ε = 14,150/M?cm) ?Proven method – well-characterized chemistry provides quantitation of peptide or protein sulfhydryl groups using extinction coefficient calculation or by comparison to a cysteine standard
  • Alfa Aesar:5,5'-二硫双(2-硝基苯甲酸),99% 5,5'-Dithiobis(2-nitrobenzoic acid), 99%(69-78-3)
  • {Chemi
  • TCI Shanghai:5,5'-二硫代双(2-硝基苯甲酸)[用于巯基基团的测定] 5,5'-Dithiobis(2-nitrobenzoic Acid) [for Determination of SH groups],>;98.0%(T)(69-78-3)
  • 用途一:广泛用于生化研究,是生化反应色原,诊断试剂研究生产,测定蛋白质、多肽和组织中巯基的灵敏测定试剂。有机磷农药中毒的监测(胆碱酯酶测定)。
  • 海关编码:29309070
  • Ellman's Reagent (5,5'-dithio-bis-[2-nitrobenzoic acid]) is used to estimate sulfhydryl groups in a sample by comparing to a standard curve of a sulfhydryl-containing compound such as cysteine. Alternatively, sulfhydryl groups can be assayed using the extinction coefficient of TNB (14,150M-1cm-1 at 412nm). Ellman's Reagent has been used for applications other than sulfhydryl estimation, such as for determining alkylthiols by HPLC using a pre-column derivatization procedure and to study thiols in the active site of several enzymes.
  • MOL 文件:69-78-3.mol
  • Ellman's Reagent (DTNB) reacts with sulfhydryl groups to yield a colored product, providing a reliable method to measure reduced cysteines and other free sulfhydryls in solution.
  • 5,5'-二硫双(2-硝基苯甲酸)价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30078984 5,5’-二硫代双(2-硝基苯甲酸) 5g 650元 2011/08/23 L0986802 5.5’-二硫代双(2-硝基苯甲酸)99% 5g 607元 2011/04/16 D0944 5,5'-二硫代双(2-硝基苯甲酸)[用于巯基基团的测定] 5,5'-Dithiobis(2-nitrobenzoic Acid) [for Determination of SH groups] 5G 776元
  • MSDS 信息:3-Carboxy-4-nitrophenyl disulfide(69-78-3).msds
  • F:10

系列性分类