1,4-Benzoquinone Monoxime 4-亚硝基苯

CAS 104-91-6 MFCD00002329

化学结构图

104-91-6
SMILES: O=Nc1ccc(O)cc1

化学属性

Mol. FormulaC6H5NO2
Mol. Weight123.11 g/mol
Melting Point132-144 ºC
Solubility<0.1 G/100 ML AT 21 ºC

别名和识别编码

Chemical Name1,4-Benzoquinone Monoxime
MDL NumberMFCD00002329
CAS Number104-91-6
Synonym (1,4)benzoquinone monooxime 1,4-BENZOQUINONE MONOXIME 1,4-Benzopuinonemonoxime 2,5-Cyclohexadiene-1,4-dionemonoxime 4-NITROSOPHENOL 4-Nitroso-phenol 4-Nitrosofenol 4-Nitrosophenol 4-Nitrosophenol (wetted with ca. 40% Water) (unit weight on dry weight basis) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} Quinone oxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} Quinone monoxime
EC Number203-251-6
Reaxys-RN2040595
Beilstein Registry Number7,622
PubChem Substance ID7729
Merck Number6642
Chemical Name Translation4-亚硝基苯
Wiswesser Line NotationQR DNO
LabNetwork Molecule IDLN01743360
InChIInChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/5a Title: Structure Data of Organic Crystals: C ... C 13 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5a Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
  • {uni_ham

安全信息

UN Number 1325 3236
Signal word
Hazard statements
  • H228 Flammable solid 易燃固体
Precautionary statements
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P332+P313
  • P301+P312+P330
  • P302+P350
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P308+P313
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P310
RTECSSM4725000
Packing GroupII
Hazard Class4.1
GHS Symbol
Hazard Codes Xn,N
Safety Statements
  • S15 Keep away from heat 远离热源;
  • S47 Keep at temperature not exceeding ... °C (to be specified by the manufacturer) 保持温度不超过……°C(由生产厂家指定);
  • 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;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S49 Keep only in the original container 仅保存在原始容器中;
  • 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;
Risk Statements
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
  • R22 Harmful if swallowed 吞咽有害
  • R51/53
Warnings 危化品目录(2015)
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 7,692,1955

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 6,148,1954

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 666 ug/plate
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:
   11(Suppl 12),1,1988

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 10 mmol/L
REFERENCE :
   JNSVA5 Journal of Nutritional Science and Vitaminology.  (Business Center
   for Academic Soc. Japan, 2-4-16 Yayoi, Bunkyo-ku, Tokyo 113, Japan)  V.19-
   1973-  Volume(issue)/page/year: 25,317,1979

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 750 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 153,57,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 50 ug/plate
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 18,523,1980

Restrict 危险品

其他信息

  • 灭火剂:水、干砂、二氧化碳、泡沫、1211灭火剂
  • TCI Shanghai:4-亚硝基苯酚(加约40%水湿润,本品干重约为25g) 4-Nitrosophenol (wetted with ca. 40% Water, containing 25g on a dry weight basis),>;98.0%(T)(104-91-6)
  • Sigma Aldrich:104-91-6(sigmaaldrich)
  • 毒性分级:高毒
  • 4-亚硝基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0374 4-亚硝基苯酚(加约40%水湿润,本品干重约为25g) 4-Nitrosophenol (wetted with ca. 40% Water, containing 25g on a dry weight basis) 25G 1520元
  • 类别:易燃固体
  • 方法一:由苯酚与亚硝酸钠在硫酸存在下进行亚硝化反应而得。在木桶内加水4.5-5t,降温至0℃。在0-6℃、4h内缓缓加入595kg苯酚。然后再加入595kg亚硝酸钠及530kg硫酸。搅拌1h,温度应不超过12℃。补加12t水后离心过滤,即得对亚硝基酚。与上述工艺过程相似,也可采用稍低的反应温度进行实验制备,报道的收率在72%-85%之间。
  • 爆炸物危险特性:与氧化剂混合可爆
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 燃烧产生有毒氮氧化物烟雾
  • 外观性质:浅黄色斜方形针状结晶。
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类、碱类分开存放
  • MOL 文件:104-91-6.mol
  • 用途一:用作精细化学品的中间体。也可用于生产橡胶交联剂、硫化蓝BRN、硫化深蓝BBF、硫化还原蓝RNX、解热镇痛药扑热息痛等。
  • 急性毒性:腹腔- 小鼠 LDL0: 250 毫克/ 公斤
  • MSDS 信息:对亚硝基苯酚(104-91-6).msds
  • 下游产品:硫化蓝7 --> 硫化红6 --> 还原兰42 --> 还原兰43 --> 1,4-苯醌二肟
  • 图谱信息:4-亚硝基苯酚(104-91-6)红外图谱(IR1) 4-亚硝基苯酚(104-91-6)质谱(MS) 4-亚硝基苯酚(104-91-6)核磁图( 13 CNMR) 4-亚硝基苯酚(104-91-6)红外图谱(IR2) 4-亚硝基苯酚(104-91-6)核磁图( 1 HNMR)

系列性分类


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