2-Nitrotoluene 2-硝基甲苯

CAS 88-72-2 MFCD00007157

化学结构图

88-72-2
SMILES: Cc1ccccc1[N+](=O)[O-]

化学属性

Mol. FormulaC7H7NO2
Mol. Weight137
Refractive index1.5440 to 1.5480
Boiling Point222°C
Density1.163 g/mL at 25 °C(lit.)
Melting Point-4--3 °C(lit.)
Flash Point106°C(lit.)
TSCAYes
Solubility0.44 g/L (20 °C)

别名和识别编码

Chemical Name2-Nitrotoluene
MDL NumberMFCD00007157
CAS Number88-72-2
Synonym 2-硝基甲苯, 99+% 2-NITROTOLUENE, 99+% 1-甲基-2-硝基苯 2-methyl-1-nitrobenzene ortho-nitrotoluol 2-硝基甲苯,甲基邻硝基苯,1-甲基-2-硝基苯 鄰硝基苯 o-nitrotoluol ortho-Nitrotoluol Toluene, o-nitro- 2-METHYLNITROBENZENE Benzene, methylnitro- o-nitrophenylmethane 2-Nitrotoluol 2-硝基甲苯 Benzene,1-methyl-2-nitro- nitrotoluenes 2-Nitrotoluene Methylnitrobenzol Isomerengemisch 鄰硝甲苯 邻胡基甲苯 Ortho Nitrotoluene 邻甲基硝基苯 1-Methyl-2-nitrobenzene 1-methyl-2-nitro-benzen Benzene, 1-methyl-2-nitro- o-nitro-toluen 邻硝基甲苯 nsc9577 nitrotoluene o-Methylnitrobenzene 2-NITROTOLUENE ONT O-NITROTOLUENE 2-Methylnitrobenzene 1-METHYL-2-NITROBENZENE 2-NITROTOLUENE,1X1ML, ACN 1000UG/ML o-Nitrotoluene ALPHA-METHYLNITROBENZENE 甲基邻硝基苯
PubChem Substance ID87573633
EC Number201-853-3
Beilstein Registry Number5,318
Merck Number6650
Chemical Name Translation2-硝基甲苯
Reaxys-RN1907580
Wiswesser Line NotationWNR B1
LabNetwork Molecule IDLN00227126
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {SA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 2fragments
  • {SNA} Analytical Standards, Aromatics, Chemical Class, Chromatography, Environmental Standards, Nitro Compounds, Solid Waste, Standards for Personal Care and Cosmetic Products, neats, prohibited substances (EU-REGULATION No 1223/2009), 分析/色谱
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Aromatics, Chemical Class, Chromatography, Environmental Standards, N, NA - NI,

相关文献及参考

  • Short: EINECS
  • Merck: 14,6650 Beilstein:5,318
  • Short: IV/4
  • Merck: 14,6650

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H350 May cause cancer 可能致癌
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H340 May cause genetic defects 可能导致遗传性缺陷
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSXT3150000
Precautionary statements
  • P308+P313
  • P301+P312
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • 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。
  • 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。
  • 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。
  • 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。
  • P308+P311
Signal word Danger
Packing GroupII
UN Number UN1664 1664 UN 1664 6.1/PG 2
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
  • 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
  • R11 Highly flammable 非常易燃
  • R45 May cause cancer 可能致癌
  • R62 Possible risk of impaired fertility 有削弱生殖能力的危险
  • R46 May cause inheritable genetic damage 可能引起遗传基因损害
  • R51/53
  • R22 Harmful if swallowed 吞咽有害
Safety Statements
  • 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）；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
Hazard Codes T,N T,N,F
Storage condition 密封阴凉干燥保存。 2-8°C
Hazard Class6.1
Warnings 危化品目录(2015) 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 54600 mg/kg/26W-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Reproductive - Tumorigenic effects - other reproductive system tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NIH-96-3936

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1750 mg/kg
TOXIC EFFECTS :
   Brain and Coverings - recordings from specific areas of CNS
   Liver - fatty liver degeneration
   Blood - methemoglobinemia-carboxyhemoglobin
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: 22(7),52,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 891 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB214-270

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 790 mg/m3
TOXIC EFFECTS :
   Brain and Coverings - recordings from specific areas of CNS
   Liver - fatty liver degeneration
   Blood - methemoglobinemia-carboxyhemoglobin
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: 22(7),52,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 970 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dos

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 500 ug/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   26,147,1995

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 200 mg/kg
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   43,2836,1983

TYPE OF TEST            : DNA adduct
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 150 mg/kg
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   51,131,1984

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 355 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   10(Suppl 10),1,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 140 gm/kg
SEX/DURATION            : male 13 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NIH-93-3346

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 32123 mg/kg
SEX/DURATION            : male 13 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NIH-93-3346

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 69154 mg/kg
SEX/DURATION            : female 13 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - menstrual cycle changes or disorders
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NIH-93-3346

Restrict 危险品

其他信息

  • 下游产品:邻甲基苯胺 --> 4-硝基甲苯 --> 吲哚 --> 2,6-二氯甲苯 --> 2,4-二氯甲苯 --> 3-硝基甲苯 --> 2-氰甲基苯磺酰胺 --> 邻硝基苯甲醛 --> 3-氯-2-甲基苯胺 --> 二氯喹啉酸 --> 2,4-二硝基甲苯 --> 4-氯-2-硝基甲苯 --> 2-氯-6-硝基甲苯 --> 硝苯地平 --> 显色基艳红 B --> 亚氨基芪甲酰氯 --> 5-甲基吩嗪硫酸甲酯 --> 5-氯邻甲苯胺 --> 双氯西林钠
  • 邻硝基甲苯:邻硝基甲苯又称2-硝基甲苯、1-甲基-2-硝基苯。黄色油状透明液体。有硝基苯的气味。相对密度1.1629。熔点-2.9℃(α型，稳定型)、-9.5℃ (β型，非稳定型)。沸点221.7℃、118℃(2.133× 103Pa)、50.0℃(0.133×103Pa)。闪点106.1℃ (闭式)。折射率1.5450。粘度0.0262mPa·s (15℃)。蒸气压(×103Pa)：10.906(5℃)、12.639 (10℃)、14.612(20℃)、15.892(30℃)。微溶于水(30℃时0.061)，溶于苯、氯仿和石油醚，与乙醇和乙醚混溶。随水蒸气一起挥发。由于硝基的强吸电子性，使甲基易被氧化，根据氧化条件，可生成邻硝基苯甲醛或邻硝基苯甲酸;在催化剂作用下还原，可生成邻甲苯胺，继续硝化，生成2，4或2，6二硝基甲苯;也可氯化，生成硝基苄氯;也可生成偶氮化合物。大鼠经口LD50 801mg/kg。 邻硝基甲苯主要用作染料原料，制备4-氯-2-硝基甲苯，6-氯-2-硝基甲苯、邻甲苯胺、联邻甲苯胺和2，6-二氯苯甲醛等染料中间体;其中4-氯-2-硝基甲苯也是医药原料;邻甲苯胺也是农药杀菌剂的原料和香料原料;制备2，2′-二硝基苄、邻硝基苄基溴和溴己烷等医药原料;制备吲哚作为氨基酸和植物生长调节剂的原料;制备二硝基甲苯作为火药的原料;邻甲苯胺也可用作硫化促进剂;制备邻硝基安息香酸作为医药原料。
  • 方法一:甲苯用混酸硝化，生成混合的硝基甲苯，其中主要是邻硝基甲苯（约占三分之二）和对硝基甲苯（约占三分之一），经分离即得纯品。将甲苯加入反应器中，冷却至25℃以下，加入配好的混酸（即硝酸25-30%，硫酸55-58%及水20-21%），调节温度不得超过50℃。连续搅拌1-2h，然后静置6h，将生成的硝基甲苯分离，水洗，碱洗，除去未反应的甲苯及脂肪族化合物，粗制硝基甲苯产品的组成为邻硝基甲苯55-60%、间位2-5%，对位35-40%。收率90-95%。利用沸点与熔点的差别进行粗馏与晶析，可分离出各异构体。即先将粗制硝基甲苯经真空蒸馏，分离出大部分的邻硝基甲苯，残余的含有较多对硝基甲苯的馏分，再经减压蒸馏分出，经冷却，结晶，分离即得成品。高沸点的焦油状物质残存在蒸馏釜中。间位硝基甲苯含在分离对位体后的母液中，经反复积累后再精馏获得。邻位和对位硝基甲苯纯度可分别达98%和99%。国内工艺芝程为两锅串联，反应温度主锅为40-45℃，次锅为50-55℃。混酸的配制大致相仿，硝酸26-28%，硫酸56-57%，水16-18%。原料消耗定额：甲苯（98%）800kg/t、硝酸（98%）470kg/t、硫酸（92.5%）450kg/t、烧碱（42%）100kg/t。
  • 用途一:用作染料、农药的中间体，也用于生产涂料、塑料和医药等
  • 有硝基苯的味道，有毒。能随水蒸气挥发。易熔于乙醇，乙醚，苯，氯仿，易燃。不溶于水，水中溶解度:0.44 g/L (20°C)，等毒，半数致死量(大鼠，经口)891mg/kg。有刺激性。
  • 常规方法:参见“对硝基甲苯”。
  • Sigma Aldrich:88-72-2(sigmaaldrich)
  • 图谱信息:2-硝基甲苯(88-72-2)红外图谱(IR2) 2-硝基甲苯(88-72-2)核磁图( 13 CNMR) 2-硝基甲苯(88-72-2)红外图谱(IR1) 2-硝基甲苯(88-72-2)核磁图( 1 HNMR) 2-硝基甲苯(88-72-2)质谱(MS)
  • 用途二:主要用于生产邻甲苯胺、联甲苯胺，是染料、涂料、塑料和医药的重要原料。在医药工业用于生产硝苯吡啶、痛
  • 上游
  • 职业标准:TWA 28 毫克/立方米； STEL 58 毫克/立方米
  • {Che
  • MSDS 信息:2-硝基甲苯(88-72-2).msds
  • {Chem

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Aromatics - Chemical Class
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Nitro Compounds 硝基化合物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Nitro Compounds 硝基化合物
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. N - Alphabetic
  5. NA - NI - N
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanides

相关产品推荐