3,5-Dinitrobenzoic Acid 3,5-二硝基苯甲酸

CAS 99-34-3 MFCD00007253

化学结构图

99-34-3
SMILES: O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

化学属性

Mol. FormulaC7H4N2O6
Mol. Weight212.12
Density1.68
Melting Point204-206°C
TSCAYes
Solubility1350 MG/L (25 ºC)
Stability对湿度敏感
Boiling Point351.93 °C at 760 mmHg
Appearance 白色至淡黄色单斜棱形结晶。熔点205-207℃，沸点300-303℃。易溶于醇和冰醋酸，微溶于水、醚、二硫化碳。能随水蒸气挥发。

别名和识别编码

Chemical Name3,5-Dinitrobenzoic Acid
CAS Number99-34-3
Alfabeta NameDINITROBENZOICACID 35-,
MDL NumberMFCD00007253
EC Number202-751-1
Beilstein Registry Number1914286
Synonym 3,5-Dinitrobenzoic acid {LY} 3,5-Dinitrobenzoic acid {} {LY} 3,5-Dinitrobenzoic acid {} {} {LY} 3,5-Dinitrobenzoic acid {} {} {} {LY} 3,5-Dinitrobenzoic acid {} {} {} {} {LY} 3,5-Dinitrobenzoic acid {} {} {} {} {} {LY} 3,5-Dinitrobenzoic acid {} {} {} {} {} {} {LY} 3,5-Dinitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dinitrobenzoic acid {} {} {} {} {} {} {} {} {LY} 3,5-Dinitrobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 3,5-Dinitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dinitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dinitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dinitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dinitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dinitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dinitrobenzoic acid {} {} {} {} {} {} {} {} {} {}
Merck Number3276
PubChem Substance ID7433
Reaxys-RN1914286
Chemical Name Translation3,5-二硝基苯甲酸
LabNetwork Molecule IDLN00173366
InChIInChI=1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)
Canonical SMILESO=C(O)C1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Analytical Standards, Analytical/Chromatography, Certified Reference Materials (CRMs), Fluka CRM for chromatography (neats), Fluka CRM for quantitative NMR (neats), Organic CRMs Alphabetical, Organic CRMs TraceCERT
  • {SNA} Analytical Standards, Analytical/Chromatography, Certified Reference Materials (CRMs), Fluka CRM for Quantit
  • {SNA} qNMR Standard for DMSO-d6 (9.2 ppm)
  • {SNA} Analytical Standards, Certified Reference Materials (CRMs), Fluka CRM for Quantitative NMR (neats), Fluka CRMs for Chromatography (neats), Organic CRMs Alphabetical, Organic CRMs TraceCERT, 分析/色谱

产品应用

  • 比色测定肌酐，检定脂肪族醚、酯和芳香族胺、检定醇类、卤代烷类。分离α和β天冬氨酰苯丙氨酸。色谱测定香精油的结构。也用作诊断药物(X光造影剂)泛影酸、染料等的中间体。

相关文献及参考

  • Short: IV/1a
  • Merck: 14,3276
  • Merck: 14,3276 Beilstein:9(4)1242
  • Short: EINECS
  • Short: III/5a

安全信息

Warnings IRRITANT
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；
Risk Statements
  • R11 Highly flammable 非常易燃
  • 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
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • 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。
  • 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+P312+P330
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P313
  • P332+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
  • H302 Harmful if swallowed 吞食有害
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSDG9140700
Packing GroupIII
UN Number UN1325
Hazard Codes Xn Xn,F F;Xn
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class4.1 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   GDIKAN Gifu Daigaku Igakubu Kiyo.  Papers of the Gifu University School of
   Medicine.  (Gifu Daigaku Igakubu, 40 Tsukasa-machi, Gifu 500, Japan)  V.15-
   1967-  Volume(issue)/page/year: 29,278,1981

其他信息

  • 3,5-二硝基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30072824 3，5-二硝基苯甲酸;3,5-二硝基安息香酸 25g 14元 2011/04/16 D0824 3,5-二硝基苯甲酸 3,5-Dinitrobenzoic Acid 500G 1100元 2011/04/16 D0824 3,5-二硝基苯甲酸 3,5-Dinitrobenzoic Acid 25G 162元
  • 上游原料:硝酸
  • 方法一:由苯甲酸硝化而得。将硫酸加入干燥的反应锅，搅拌下投入苯甲酸。加热至60℃，滴加发烟硝酸，在85℃以下滴加完毕。于80-85℃反应1h，100℃反应0.5-1h，再升温至135℃反应2h。放置过夜。将反应液放入冰水中析出结晶，甩滤，然后先用水洗，再用50%乙醇洗，得3,5-二硝基苯甲酸。收率70%。
  • 海关编码:29163900
  • Sigma Aldrich:99-34-3(sigmaaldrich)
  • 图谱信息:3,5-二硝基苯甲酸(99-34-3)质谱(MS) 3,5-二硝基苯甲酸(99-34-3)红外图谱(IR1) 3,5-二硝基苯甲酸(99-34-3)Raman光谱 3,5-二硝基苯甲酸(99-34-3)核磁图( 1 HNMR) 3,5-二硝基苯甲酸(99-34-3)红外图谱(IR2) 3,5-二硝基苯甲酸(99-34-3)核磁图( 13 CNMR)
  • TCI Shanghai:3,5-二硝基苯甲酸 3,5-Dinitrobenzoic Acid,>;98.0%(T)(99-34-3)
  • 用途四:比色测定肌酐，检定脂肪族醚、酯和芳香族胺、检定醇类、卤代烷类。分离α和β天冬氨酰苯丙氨酸。色谱测定香精油的结构。也用作诊断药物(X光造影剂)泛影酸、染料等的中间体。
  • 能升华。能随水蒸气挥发。易溶于醇和冰乙酸，1g溶于53份沸水，微溶于冷水、乙醚、二硫化碳和苯。有刺激性。
  • 下游产品:3-溴-5-碘苯甲酸 --> 3-溴-5-硝基苯甲酸 --> 3,5-二硝基苯甲酰氯 --> 3-氨基-5-硝基苯甲酸 --> 3,5-二乙酰胺基-2,4,6-三碘苯甲酸
  • MOL 文件:99-34-3.mol
  • 用途一:用作诊断药物（X光造影剂）泛影酸、染料等的中间体
  • MSDS 信息:3,5-Dinitrobenzoic acid(99-34-3).msds
  • Alfa Aesar:3,5-二硝基苯甲酸,98+% 3,5-Dinitrobenzoic acid, 98+%(99-34-3)
  • 用途三:用作有机合成中间体，用于生产诊断用药泛影酸。该品也可用作分析试剂。
  • Acros Organics:3,5-二硝基苯甲酸 3,5-Dinitrobenzoic acid, 99%(99-34-3)
  • 用途二:用作X光造影剂泛影酸、染料等的中间体

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. Carboxylic Acids - Carbonyl Compounds
  6. C7 - Carboxylic Acids
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Certified Reference Materials (CRMs) - Analytical Standards
  4. Organic CRMs TraceCERT - Certified Reference Materials (CRMs)
  5. CRM for chromatography - Organic CRMs TraceCERT
  6. Organic CRMs Alphabetical - CRM for chromatography
  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. Aromatic acids
  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. Carboxylic Acids
  6. C6

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