1,5-Diaminonaphthalene 1,5-萘二胺

CAS 2243-62-1 MFCD00004029

化学结构图

2243-62-1
SMILES: Nc1cccc2c(N)cccc12

化学属性

Mol. FormulaC10H10N2
Mol. Weight158.20
Melting Point185-187°C
TSCANo
Boiling Point381.4 °C at 760 mmHg
Density1.4
Solubility<0.1 G/100 ML AT 20.5 ºC
Flash Point200-210°C/5mm
Appearance 1,5-萘二胺(2243-62-1)为无色至淡紫色晶体。升华 ,熔点 187℃,密度 1.4g/cm3,水中溶解度 20℃时0.004g/100mL,蒸气压 20℃时0.0000023Pa,闪点 226℃,自燃温度 580℃,辛醇/水分配系数的对数值 1.48 ;

别名和识别编码

Chemical Name1,5-Diaminonaphthalene
CAS Number2243-62-1
Synonym Naphthalene-1,5-diamine {LY} Naphthalene-1,5-diamine {} {LY} Naphthalene-1,5-diamine {} {} {LY} Naphthalene-1,5-diamine {} {} {} {LY} Naphthalene-1,5-diamine {} {} {} {} {LY} Naphthalene-1,5-diamine {} {} {} {} {} {LY} Naphthalene-1,5-diamine {} {} {} {} {} {} {LY} Naphthalene-1,5-diamine {} {} {} {} {} {} {} {LY} Naphthalene-1,5-diamine {} {} {} {} {} {} {} {} {LY} Naphthalene-1,5-diamine {} {} {} {} {} {} {} {} {} {LY} Naphthalene-1,5-diamine {} {} {} {} {} {} {} {} {} {} {LY} Naphthalene-1,5-diamine {} {} {} {} {} {} {} {} {} {} {} {LY} Naphthalene-1,5-diamine {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Naphthalene-1,5-diamine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Naphthalene-1,5-diamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Naphthalene-1,5-diamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Naphthalene-1,5-diamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00004029
PubChem Substance ID87566841
EC Number218-817-8
Beilstein Registry Number907947
Reaxys-RN907947
Chemical Name Translation1,5-萘二胺
Wiswesser Line NotationL66J BZ GZ
LabNetwork Molecule IDLN00224694
InChIInChI=1S/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2
Canonical SMILESNC1=C2C=CC=C(N)C2=CC=C1
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分类

  • {SNA} Analytical Reagents, Analytical/Chromatography, Mass Spectrometry (MS), Matrix Substances for MALDI-MS, Spectroscopy
  • Mutagenesis Research Chemicals
  • {SNA} Biochemicals and Reagents, Building Blocks, Chemical Synthesis, Luminescent Compounds/Detection, Nitrogen Compounds, Organic Building Blocks, Polyamines,
  • {SNA} Building Blocks, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Polyamines, Wavelength Index, 发光化合物及其检测,
  • {uni_hamburg} no charge; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; 1fragment
  • Amines
  • {SNA} Mass Spectrometry (MS), Matrix Substances for MALDI-MS, Spectroscopy, 分析/色谱, 分析试剂
  • Aromatics
  • {SNA} Building Blocks,

产品应用

  • Aromatic amines likely to have high carcinogenic potency. QSARs of aromatic amines.

相关文献及参考

  • Franke, R., et al.: Carcinogenesis, 22, 1561 (2001),
  • Benigni, R., et al.: Chem. Rev., 105, 1767 (2005),
  • Benigni, R., et al.: Environ. Mol. Mutagen., 50, 152 (2009),
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
  • Short: IV/4 Title: High-Pressure Properties of Mat

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H351 Suspected of causing cancer 怀疑致癌
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves 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
RTECSQJ3400000
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。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312+P330
  • P302+P350
  • P302+P352+P333+P313+P362+P364
  • P304+P340+P312
  • P308+P311
  • P308+P313
  • P332+P313
  • P337+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
  • 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 Warning
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
Packing GroupIII
UN Number 3077 UN 3077 9/PG 3 UN3077
Risk Statements
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R50/53
Hazard Codes 9
Hazard Class9
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 120 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
   Endocrine - thyroid tumors
REFERENCE :
   NCITR* National Cancer Institute Carcinogenesis Technical Report Series.
   (Bethesda, MD)  No.0-205. For publisher information, see NTPTR*.
   Volume(issue)/page/year: NCI-TR-143,1978

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 18 gm/kg/88W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Endocrine - tumors
   Reproductive - Tumorigenic effects - uterine tumors
REFERENCE :
   NCITR* National Cancer Institute Carcinogenesis Technical Report Series.
   (Bethesda, MD)  No.0-205. For publisher information, see NTPTR*.
   Volume(issue)/page/year: NCI-TR-143,1978

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 54 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Endocrine - tumors
   Reproductive - Tumorigenic effects - uterine tumors
REFERENCE :
   NCITR* National Cancer Institute Carcinogenesis Technical Report Series.
   (Bethesda, MD)  No.0-205. For publisher information, see NTPTR*.
   Volume(is

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 288 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
   Endocrine - thyroid tumors
REFERENCE :
   NCITR* National Cancer Institute Carcinogenesis Technical Report Series.
   (Bethesda, MD)  No.0-205. For

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 33300 ng/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 7(Suppl
   5),1,1985

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - rat Embryo
DOSE/DURATION           : 5200 ng/plate
REFERENCE :
   JJATDK JAT, Journal of Applied Toxicology.  (John Wiley & Sons Ltd., Baffins
   Lane, Chichester, W. Sussex PO19 1UD, UK)  V.1-    1981-
   Volume(issue)/page/year: 1,190,1981

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Sigma Aldrich:2243-62-1(sigmaaldrich)
  • 用途一:用于有机合成
  • MOL 文件:2243-62-1.mol
  • 1,5-萘二胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0101 1,5-二氨基萘 1,5-Diaminonaphthalene 500G 3300元 2014/06/02 D0101 1,5-二氨基萘 1,5-Diaminonaphthalene 25G 416元 2010/06/21 112290250 1,5-萘二胺 1,5-Diaminonaphthalene 97% 25 GR 553元
  • Acros Organics:1,5-二氨基萘 1,5-Diaminonaphthalene, 97%(2243-62-1)
  • Alfa Aesar:1,5-二氨基萘,97% 1,5-Diaminonaphthalene, 97%(2243-62-1)
  • 海关编码:29215990
  • MSDS 信息:1,5-Diaminonaphthalene(2243-62-1).msds
  • 图谱信息:1,5-萘二胺(2243-62-1)核磁图( 1 HNMR) 1,5-萘二胺(2243-62-1)红外图谱(IR1) 1,5-萘二胺(2243-62-1)核磁图( 13 CNMR) 1,5-萘二胺(2243-62-1)质谱(MS) 1,5-萘二胺(2243-62-1)红外图谱(IR2)
  • TCI Shanghai:1,5-二氨基萘 1,5-Diaminonaphthalene,>;97.0%(GC)(T)(2243-62-1)

系列性分类


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