Nitrobenzene-​d5 硝基苯-d5

CAS 4165-60-0 MFCD00044415

化学结构图

4165-60-0
SMILES: [2H]c1c([2H])c([2H])c([N+](=O)[O-])c([2H])c1[2H]

化学属性

Mol. FormulaC6D5NO2
Mol. Weight128.14
Refractive indexn20/D 1.5498(lit.)
Boiling Point88 °C/12 mmHg(lit.)
Density1.253 g/mL at 25 °C(lit.)
Flash Point88°(190°F)
TSCANo
Melting Point6°

别名和识别编码

Chemical NameNitrobenzene-​d5
Synonym Nitrobenzene-d5 {LY} Nitrobenzene-d5 {} {LY} Nitrobenzene-d5 {} {} {LY} Nitrobenzene-d5 {} {} {} {LY} Nitrobenzene-d5 {} {} {} {} {LY} Nitrobenzene-d5 {} {} {} {} {} {LY} Nitrobenzene-d5 {} {} {} {} {} {} {LY} Nitrobenzene-d5 {} {} {} {} {} {} {} {LY} Nitrobenzene-d5 {} {} {} {} {} {} {} {} {LY} Nitrobenzene-d5 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nitrobenzene-d5 {} {} {} {} {} {} {} {} {} {} {LY} Nitrobenzene-d5 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nitrobenzene-d5 {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nitrobenzene-d5 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nitrobenzene-d5 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nitrobenzene-d5 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nitrobenzene-d5 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number4165-60-0
PubChem Substance ID123210
EC Number224-014-3
Beilstein Registry Number1455693
MDL NumberMFCD00044415
Chemical Name Translation硝基苯-d5
LabNetwork Molecule IDLN00196289
InChIInChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
Canonical SMILESO=[N+](C1=C([2H])C([2H])=C([2H])C([2H])=C1[2H])[O-]
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分类

  • Alpha Sort, Alphabetic, Analytical Standards, Analytical/Chromatography, Chromatography, Environmental Standards, N, N-O, NA - NI, Volatiles/ Semivolatiles
  • {uni_hamburg} no charge; isotope; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Additional NMR Solvents, Alphabetical Listings, N-O, NMR Solvents, NMR Solvents and Reagents, Solvent by Application, Solvents, Spectroscopy Solvents (IR, NMR, UV/Vis), Stable Isotopes
  • {SA} Additional NMR Solvents, Aldrich High Purity NMR Solvents for Routine NMR, Alphabetical Listings, High Throughput NMR, Labware, N-

相关文献及参考

  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/31a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cu Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/31a Year: 1993 Keyword: NQR ISBN: 3-540-55146-8 ISBN: 978-3-540-55146-1 Internet Resource: DOI:10.1007/b43999 RefComment: VIII, 437 pages. Hardcover Abstract: Volume III/31 continues the compilation of nuclear quadrupole resonance spectroscopy data of solid substances which started in with volume III/20 in 1987 covering the literature from the beginning of nuclear quadrupole resonance spectroscopy in 1951 to 1982 and containing the data for 8000 substances in the solid state, distributed among three subvolumes III/20 a, b, and c. Volume III/31 covers the literature published in the period from the end of
  • Beil. 5 ,IV,718
  • Aldrich MSDS 1 , 1355:A / Corp MSDS 1 (2), 2554:C / FT-IR 1 (2), 1088:A / FT-IR 2 (3), 4327:C / IR-Spectra (2), 1311:G / IR-Spectra (3), 1532:F / NMR-Reference 2 (1), 5:D / RegBook 1 (2), 2937:C / Sigma FT-IR 1 (2), 1005:C / Structure Index 1 , 466:D:5 / Vapor Phase 3 , 1618:A

安全信息

GHS Symbol
WGK Germany3
Hazard Codes T T,N
Hazard statements
  • H331 Toxic if inhaled 吸入中毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H301 Toxic if swallowed 吞食有毒
  • 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。
  • 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
  • H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • H301+H311+H331
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P301+P310
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P301+P310+P330
  • P308+P313
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P403+P233
Signal word Danger
Safety Statements
  • 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；
  • 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；
  • 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；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
UN Number UN1662 UN 1662 6.1/PG 2
Risk Statements
  • R51/53
  • R62 Possible risk of impaired fertility 有削弱生殖能力的危险
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • 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
  • R48/23/24
  • R60 May impair fertility 可能降低生殖能力
  • R52/53
  • R48/23/24/25
  • R24 Toxic in contact with skin 与皮肤接触有毒
  • R25 Toxic if swallowed 吞咽有毒
  • R48 Danger of serious damage to health by prolonged exposure 长期接触有严重损害健康的危险
  • R23 Toxic by inhalation 吸入有毒
  • R51 Toxic to aquatic organisms 对水生生物有毒
  • R53 May cause long-term adverse effects in the aquatic environment 对水生环境有长期的有害作用
  • R45 May cause cancer 可能致癌
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Packing GroupII
Hazard Class6.1
Storage condition 2-8°C 避光防潮,密封保存.
Warnings 危险化学品

其他信息

  • Acros Organics:Nitrobenzene-d5, 99 atom % D, for NMR(4165-60-0)
  • Sigma Aldrich:4165-60-0(sigmaaldrich)
  • F:10
  • Alfa Aesar:5 , 99% (Isotopic)(4165-60-0)" href="http://www.alfa.com/zh/GP100w.pgm?DSSTK=42337&CAS;=4165-60-0">氘代硝基苯-d{5},99%(Isotopic) Nitrobenzene-d 5 , 99% (Isotopic)(4165-60-0)
  • MOL 文件:4165-60-0.mol
  • 氘代硝基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 166360250 氘代硝基苯 Nitrobenzene-d5 , for NMR, 99 atom % D 25 GR 1815元 2010/06/21 166360050 氘代硝基苯 Nitrobenzene-d5 , for NMR, 99 atom % D 5 GR 496元 2010/06/21 166360100 氘代硝基苯 Nitrobenzene-d5 , for NMR, 99 atom % D 10 GR 855元

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Stable Isotopes 稳定同位素
  3. Alphabetical Listings for Stable Isotope Labeled Products
  4. N-O - Alphabetical Listings
  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. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Volatiles/ Semivolatiles - Environmental Standards
  6. Alpha Sort - Volatiles/ Semivolatiles
  7. N-O - Alpha Sort
  1. Analytical & Chromatography 分析化学与色谱
  2. Solvents 溶剂
  3. Solvent by Application - Solvents
  4. Spectroscopy Solvents (IR, NMR, UV/Vis) - Solvent by Application
  5. NMR Solvents - Spectroscopy Solvents (IR, NMR, UV/Vis)

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