2-Nitro-9H-fluorene 2-硝基芴

CAS 607-57-8 MFCD00001117

化学结构图

607-57-8
SMILES: [O-][N+](=O)C1C=C2CC3C=CC=CC=3C2=CC=1

化学属性

Mol. FormulaC13H9NO2
Mol. Weight211.22
TSCAYes
Melting Point156-158°C
Solubility不溶
Density1.318
Appearance 黄色针状结晶。熔点156℃。
Boiling Point350.9 °C at 760 mmHg

别名和识别编码

Chemical Name2-Nitro-9H-fluorene
CAS Number607-57-8
Alfabeta NameNITROFLUORENE H29---
MDL NumberMFCD00001117
EC Number210-138-5
Synonym 2-Nitro-9H-fluorene {LY} 2-Nitro-9H-fluorene {} {LY} 2-Nitro-9H-fluorene {} {} {LY} 2-Nitro-9H-fluorene {} {} {} {LY} 2-Nitro-9H-fluorene {} {} {} {} {LY} 2-Nitro-9H-fluorene {} {} {} {} {} {LY} 2-Nitro-9H-fluorene {} {} {} {} {} {} {LY} 2-Nitro-9H-fluorene {} {} {} {} {} {} {} {LY} 2-Nitro-9H-fluorene {} {} {} {} {} {} {} {} {LY} 2-Nitro-9H-fluorene {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-9H-fluorene {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-9H-fluorene {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-9H-fluorene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-9H-fluorene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-9H-fluorene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-9H-fluorene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-9H-fluorene {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID87573572
Reaxys-RN1877983
Beilstein Registry Number5,628
Chemical Name Translation2-硝基芴
Wiswesser Line NotationL B656 HHJ ENW
LabNetwork Molecule IDLN00173654
Canonical SMILESO=[N+](C1=CC(CC2=C3C=CC=C2)=C3C=C1)[O-]
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 13ring; 1fragment

相关文献及参考

  • Short: II/3
  • Beilstein:5,628
  • Short: III/35D2

安全信息

Warnings IRRITANT
RTECSLL8225000
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S33 Take precautionary measures against static discharges 对静电采取预防措施;
  • S43 In case of fire use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add -?Never use water) 着火时使用(指明具体的消防器材种类,如果用水增加危险,注明“禁止用水”
  • S7 Keep container tightly closed 保存在严格密闭容器中;
  • 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;
  • 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;
  • S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染;
UN Number UN3077 UN 3077 9/PG 3 3077 UN3089
Risk Statements
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R51/53
  • R11 Highly flammable 非常易燃
WGK Germany3
GHS Symbol
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P405 Store locked up. 上锁保管。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P308+P313
  • 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。
Hazard statements
  • H351 Suspected of causing cancer 怀疑致癌
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Signal word Warning
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes Xn Xn,N
Packing GroupIII
Hazard Class9
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 310 mg/kg/79W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Endocrine - tumors
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   10,1201,1950

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4000 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   7,730,1947

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3400 mg/kg/23W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Sense Organs and Special Senses (Olfaction) - tumors
   Skin and Appendages - tumors
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   10,1201,1950

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 62,911,1979

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - mouse Mammary gland
DOSE/DURATION           : 100 ug/L
REFERENCE :

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 5 pph
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 62,901,1979

TYPE OF TEST            : Body fluid assay
TEST SYSTEM             : Rodent - rat Bacteria - Salmonella typhimurium
DOSE/DURATION           : 25 mg/kg/12H
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 9,1465,1988

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 250 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 203,155,1988

TYPE OF TES

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 12500 ug/kg/1D
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 9,1465,1988

TYPE OF TEST            : Morphological transformation
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 200 mg/kg
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 10,435,1989

{haz

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 海关编码:29042000
  • 图谱信息:2-硝基芴(607-57-8)红外图谱(IR2) 2-硝基芴(607-57-8)红外图谱(IR1) 2-硝基芴(607-57-8)Raman光谱 2-硝基芴(607-57-8)核磁图( 1 HNMR) 2-硝基芴(607-57-8)质谱(MS) 2-硝基芴(607-57-8)核磁图( 13 CNMR)
  • Sigma Aldrich:607-57-8(sigmaaldrich)
  • MOL 文件:607-57-8.mol
  • TCI Shanghai:2-硝基芴 2-Nitrofluorene,>;99.0%(LC)(607-57-8)
  • 用途一:有机合成中间体。
  • 下游产品:2-氨基芴
  • MSDS 信息:2-Nitrofluorene(607-57-8).msds
  • 2-硝基芴价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0201 2-硝基芴 2-Nitrofluorene 25G 423元
  • 上游原料:乙酸 --> 硝酸 --> 芴
  • 方法一:将60g芴和500ml冰乙酸混匀,搅拌加热至50℃,滴加80ml浓硝酸。加热至80℃反应5min,冷至室温,滤出生成的2-硝基芴,用冷的冰乙酸洗涤、水洗,冰乙酸重结晶,得56g纯品,收率79%。

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