2,4-Dinitrochlorobenzene 邻硝基氯苯*2,4-EXJLB

CAS 97-00-7 MFCD00007075

化学结构图

97-00-7
SMILES: O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1

化学属性

Mol. FormulaC6
Mol. Weight203
Boiling Point315
Melting Point50.0 to 54.0 deg-C
Density1.0
Flash Point186°(366°F)
TSCAYes
Solubility不溶
Stability对湿度敏感
Refractive index1.5857

别名和识别编码

Chemical Name2,4-Dinitrochlorobenzene
Synonym 6-Chloro-1,3-dinitrobenzene CDN 2,4-Dinitrophenyl chloride {uni_hamburg} 2,4-二氮氯苯 DCNB {Chemica 4-Chloro-1,3-dinitrobenzene 2,4-二硝基氯苯 dinitrochlorobenzene 1-Chloor-2,4-dinitrobenzeen 1-Chloro-2,4-dinitrobenzol 2,4-Dinitrophenylchlorid 2,4-二硝基氯苯 2,4-二硝氯苯 Benzene,1-chloro-2,4-dinitro- 2,4-Dinitrochlorbenzol 1-Chlor-2,4-dinitrobenzene 2,4-Dinitro-chlorbenzol 6-氯-1,3-二硝苯 1,3-Dinitro-4-chlorobenzene 1,3-dinitro-4-chlorobenzene 2,4 DINITRO-1-CHLOROBENZE 1-chloro-2,4-dinitro-benzene 1-chloro-2,4-dinitrobenzeen 1-CHLORO-2,4-DINITROBENZENE 2,4-Dinitrochlorobenzene
CAS Number97-00-7
PubChem Substance ID87565336
EC Number202-551-4
Beilstein Registry Number5,263
MDL NumberMFCD00007075
Merck Number2136
Alfabeta NameCHLORODINITROBENZENE 124---,
Chemical Name Translation邻硝基氯苯*2,4-EXJLB
Wiswesser Line NotationWNR BG ENW
LabNetwork Molecule IDLN00183473
Reaxys-RN613161
InChIInChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
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分类

  • Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks

产品应用

  • 检定烟酸、烟酰胺及其他吡啶化合物,可根据其与脂肪族、芳香族伯胺与仲胺所生成衍生物的熔点不同而检定,检定硫醇化合物的硫醇,有机微量分析测定碳、氢和氯的标准。有机合成。

相关文献及参考

  • Short: II/27B
  • Merck: 14,2136 Beilstein: 5,IV,744
  • The doubly-activated chloro-substituent is readily displaced by nucleophiles, e.g.:
  • Ammonia/ ammonium acetate to give 2,4-dinitroaniline: Org. Synth. Coll., 2, 221 (1943); or with ammonia gas in toluene in the presence of TBAB which improves the solubility of ammonia in the organic medium and accelerates the reaction: J. Chem. Soc., Chem. Commun., 1267 (1987). Benzyl mercaptan to give the thioether: Org. Synth. Coll., 5, 474 (1973). Iodide ion to give 2,4-dinitro-1-iodobenzene: Org. Synth. Coll., 5, 478 (1973). Nitrite in toluene (phase-transfer) to give 1,2,4-trinitrobenzene (caution!): J. Org. Chem., 56, 4967 (1991).
  • Merck: 14,2136

安全信息

GHS Symbol
WGK Germany2
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
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H331 Toxic if inhaled 吸入中毒
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes T,N
RTECSCZ0525000
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。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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+P312+P330
  • P302+P350
  • P302+P352+P310+P361+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P310
  • P308+P311
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Safety Statements
  • 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;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
  • 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);
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
UN Number 1577 3441 UN 3441 6.1/PG 2
Risk Statements
  • R33 Danger of cumulative effects 有累积作用的危险
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R50/53
Packing GroupII
Warnings 危化品目录(2015) IRRITANT
Storage condition 密封保存。
Hazard Class6.1
Restrict {} 剧毒化学品 危险品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 280 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Gastrointestinal - peritonitis
   Blood - methemoglobinemia-carboxyhemoglobin
REFERENCE :
   AGGHAR Archiv fuer Gewerbepathologie und Gewerbehygiene.  (Berlin, Ger.)
   V.1-18, 1930-61.  For publisher information, see IAEHDW.
   Volume(issue)/page/year: 17,217,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 780 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 32(2),48,1988

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 130 mg/kg
TOXIC EFFECTS :
   Skin and Appendages - primary irritation (after topical exposure)
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 3 ug/plate
REFERENCE :
   ARDEAC Archives of Dermatology.  (AMA, 535 N. Dearborn St., Chicago, IL
   60610)  V.82-    1960-  Volume(issue)/page/year: 121,348,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 50 ug/plate
REFERENCE :
   ADREDL Archives of Dermatological Research.  (Springer-Verlag New York,
   Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944)  V.253-    1975-
   Volume(issue)/page/year: 266,315,1979

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - hamster Kidney
DOSE/DURATION           : 10 mg/L
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   45,307,1980

TYPE OF TEST            : DNA damage
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 30 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 116,239,1983

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 5 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 131,215,1984

其他信息

  • 方法一:1.由氯苯用混酸两次硝化而得。两次硝化工艺实现了连续化生产,生产装置主要由四个反应塔组成。将混酸(硝酸占33.1%,硫酸占62.88%,其余为水)以11.3kg/min,氯苯以3.18kg/min的流量连续经四个反应塔,反应温度分别控制在75-85℃、100℃、120±20℃和125±2℃,反应约3h后,反应产物经水洗,即获得合格产品。2.由对、邻硝基氯苯的副产品共融油经混酸硝化、分离废酸后,中和、水洗并经结晶提纯后得成品,并副产2,6-油。
  • 图谱信息:2,4-二硝基氯苯(97-00-7)核磁图( 1 HNMR) 2,4-二硝基氯苯(97-00-7)质谱(MS) 2,4-二硝基氯苯(97-00-7)红外图谱(IR3) 2,4-二硝基氯苯(97-00-7)核磁图( 13 CNMR) 2,4-二硝基氯苯(97-00-7)红外图谱(IR1) 2,4-二硝基氯苯(97-00-7)红外图谱(IR2) 2,4-二硝基氯苯(97-00-7)Raman光谱
  • 速热至高温能引起爆炸。易溶于热醇,溶于醚、苯和二硫化碳,微溶于冷醇,几乎不溶于水,微溶于三氯甲烷,易燃,低毒,半数致死量(大鼠,经口)1070mg/kg。有刺激性。
  • 毒性分级:中毒
  • 灭火剂:水、泡沫、二氧化碳
  • 下游产品:苦味酸 --> 2,4-二氨基苯磺酸 --> 分散兰 79 --> 2-氨基-4-硝基苯酚 --> 2,4-二硝基苯胺 --> 耐晒猩红RC --> 硫化深蓝3R --> 硫化黑 1 --> 氟乐灵 --> 还原黄4 --> 2-氨基-4-硝基苯甲醚 --> 2,4-二硝基苯甲醚 --> 硫化黄9 --> 2,4-二硝基苯磺酸二水合物 --> 分散兰 301 --> 2,4-二硝基苯肼 --> 2-氨基-4-硝基苯酚钠 --> 2,4-二硝基氟苯 --> 2,4-二硝基酚 --> 酸性橙 3 --> 2,4-二硝基二苯胺
  • Hazard Note:Toxic
  • 爆炸物危险特性:与空气混合可爆
  • 用途一:主要作为染料、农药、医药中间体
  • 用途二:用作分析试剂,也用于有机合成和染料的制造
  • 类别:有毒物品
  • Alfa Aesar:1-氯-2,4-二硝基苯,98% 1-Chloro-2,4-dinitrobenzene, 98%(97-00-7)
  • 上游原料:氯苯 --> 邻氯硝基苯
  • 2,4-二硝基氯苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80033124 1-氯-2,4-二硝基苯(剧毒) 25g 160元 2011/08/23 80033260 1-氯-2,4-二硝基苯(剧毒) 25g 10.6元 2010/06/21 160510025 2,4-二硝基氯苯 1-Chloro-2,4-dinitrobenzene 99% 2.5 KG 5002元
  • 刺激数据:皮肤-兔子 2 毫克/24小时 重度; 眼睛-兔子 0.05 毫克/24小时 重度
  • MOL 文件:97-00-7.mol
  • 可燃性危险特性:可燃;遇明火或受热到150℃以上有燃烧爆炸危险; 高热分解有毒氮氧化物和氯化物烟雾
  • MSDS 信息:2,4-二硝基氯苯(97-00-7).msds
  • 储运特性:库房通风低温干燥; 与氧化剂、食品添加剂分开存放
  • 外观性质:淡黄色或黄棕色针状结晶,有苦杏仁味。
  • Acros Organics:1-氯-2,4-二硝基苯 1-Chloro-2,4-dinitrobenzene, 99%(97-00-7)
  • Sigma Aldrich:97-00-7(sigmaaldrich)
  • 用途三:主要用作染料、农药、医药等的原料。用于制造硫化染料,如硫化深蓝3R、硫化黑BRN以及RN、B2RN、BN等,该品还是二硝基苯酚、二硝基苯胺、苦味酸、对硝基邻氨基苯酚等中间体的原料。也可用于制造糖精、农药二硝散等。
  • 急性毒性:口服-大鼠 LD50: 780

系列性分类


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