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5-硝基糠醛

5-硝基糠醛用途

用作药物中间体

5-硝基糠醛名称

[ CAS 号 ]:
698-63-5

[ 中文名 ]:
5-硝基糠醛

[ 英文名 ]:
5-Nitrofuraldehyde

[中文别名 ]:

[英文别名 ]:

MFCD00003230
5-Nitrofuraldehyde
2-Furancarboxaldehyde, 5-nitro-
5-Nitrofuran-2-carbaldehyd
EINECS 211-816-3
5-Nitro-furanaldehyde
5-Nitro-2-furaldehyde
5-nitrofuran-2-carbaldehyde

5-硝基糠醛物理化学性质

[ 密度 ]:
1.5±0.1 g/cm3

[ 沸点 ]:
252.2±0.0 °C at 760 mmHg

[ 熔点 ]:
37-39 °C(lit.)

[ 分子式 ]:
C₅H₃NO₄

[ 分子量 ]:
141.082

[ 闪点 ]:
118.6±23.2 °C

[ 精确质量 ]:
141.006210

[ PSA ]:
76.03000

[ LogP ]:
0.51

[ 外观性状 ]:
棕色晶体

[ 蒸汽压 ]:
0.0±0.5 mmHg at 25°C

[ 折射率 ]:
1.580

[ 储存条件 ]:
Flammables area

[ 水溶解性 ]:
sparingly soluble

5-硝基糠醛MSDS

5-硝基糠醛毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: LT7200000

CHEMICAL NAME :: 2-Furaldehyde, 5-nitro-

CAS REGISTRY NUMBER :: 698-63-5

BEILSTEIN REFERENCE NO. :: 0120539

LAST UPDATED :: 199612

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C5-H3-N-O4

MOLECULAR WEIGHT :: 141.09

WISWESSER LINE NOTATION :: T5OJ BVH ENW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Protozoa - Euglena gracilis

DOSE/DURATION :: 5 mg/L

REFERENCE :: AFRNDS Acta Facultatis Rerum Naturalium Universitatis Comenianae, Formatio et Protectio Naturae. (Slovenske Pedagogicke Nakladatel'stvo, Sasinkova 5, 89112 Bratislava, Czechoslovakia) No.1- 1976- Volume(issue)/page/year: 5,131,1979

5-硝基糠醛安全信息

[ 符号 ]:

GHS02

[ 信号词 ]:
Danger

[ 危害声明 ]:
H228

[ 警示性声明 ]:
P210

[ 个人防护装备 ]:
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

[ 危害码 (欧洲) ]:
F:Flammable;Xn:Harmful;

[ 风险声明 (欧洲) ]:
R11;R68

[ 安全声明 (欧洲) ]:
S16-S36/37

[ 危险品运输编码 ]:
UN 1325 4.1/PG 2

[ WGK德国 ]:
3

[ RTECS号 ]:
LT7200000

[ 包装等级 ]:
III

[ 危险类别 ]:
3.2

[ 海关编码 ]:
29321900

5-硝基糠醛合成路线

5-硝基糠醛上下游产品

5-硝基糠醛上游产品

5-硝基糠醛下游产品

5-硝基糠醛制备

投料比（质量）5-硝基呋喃甲醛二乙酸酯：98%硫酸：水：萃取剂=1：2.0 ：4.5 ：（5~10）

在搪玻璃水解釜内依次投入水、98%硫酸和5-硝基呋喃甲醛二乙酸酯，在二氧化碳气压下，搅拌回流30min。然后冷却至50℃以下，将反应混合物转移至萃取釜。开启萃取釜冷冻系统，搅拌冷却至25℃以下，加入萃取剂萃取2~3次，接着合并萃取相，先常压蒸馏蒸出萃取剂（回收套用），再改为真空蒸馏。并收集1.33kpa下128~130℃的馏分，冷却后得无色晶体。熔点36~37℃。收率≥75%，含量≥97%。

5-硝基糠醛海关

[ 海关编码 ]: 29321900

5-硝基糠醛文献

A selective biomarker for confirming nitrofurazone residues in crab and shrimp using ultra-performance liquid chromatography-tandem mass spectrometry.

Anal. Bioanal. Chem 407 , 8971-7, (2015)

Reliably detecting nitrofurazone (NFZ) residues in farmed crab and shrimp was previously hindered by lack of appropriately specific analytical methodology. Parent NFZ rapidly breaks down in meat, and ...

Conformational stability, vibrational spectra, molecular structure, NBO and HOMO-LUMO analysis of 5-nitro-2-furaldehyde oxime based on DFT calculations.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 104 , 14-25, (2013)

The FTIR and FT-Raman spectra of 5-nitro-2-furaldehyde oxime (NFAO) have been recorded in the regions 4000-400 cm(-1) and 3500-50 cm(-1), respectively. The total energies of different conformations ha...

Design, synthesis, and biological evaluation of 4-(5-nitrofuran-2-yl)prop-2-en-1-one derivatives as potent antitubercular agents.

Bioorg. Med. Chem. Lett. 20 , 6175-8, (2010)

Based on stereoelectronic feature analysis using density functional theory (DFT) at B3LYP/3-21∗G level, a series of 4-(5-nitrofuran-2-yl)prop-2-en-1-one derivatives with low LUMO energies (<-0.10eV); ...

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