CAS 70-34-8|Sanger's Reagent|FDNB|1-FLUORO-2,4-DINITROBENZENE|DNPF|2,4-Dinitro-1-fluorobenzene 99%|DNFB|1-fluoro-2,4-dinitrobenzene|dinitrofluorobenzene|2,4-DINITROFLUOROBENZENE|1-Fluoro-2,4-dinitro...

基本信息

化学结构

分子式

C₆H₃FN₂O₄

分子量

186.0974232

精确质量

186.00768481

电荷

InChI

InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

InChIKey

LOTKRQAVGJMPNV-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F

Isomeric Smiles

Fc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]

计算属性

JChem

Acid pKa

18.12873

质子受体

质子供体

LogD (pH = 5.5)

1.9959161

LogD (pH = 7.4)

1.9959161

Log P

1.9959161

摩尔折射率

38.9154

极化性

14.10993

极化表面积

86.28

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

Sanger's ReagentFDNB1-FLUORO-2,4-DINITROBENZENEDNPF2,4-Dinitro-1-fluorobenzene 99%DNFB2,4-DINITROFLUOROBENZENE1-Fluoro-2,4-dinitrobenzene2,4-二硝基氟苯Dinitrofluorobenzene2,4-二硝基-1-氟苯2,4-dinitro-1-fluorobenzene1-Fluoro-2,4-dinitrobenzene桑格试剂Sanger reagent2,4-Dinitrofluorobenzene2,4-二硝基-1-氟苯

IUPAC标准名

1-fluoro-2,4-dinitrobenzene

IUPAC传统名

dinitrofluorobenzene

名称和标识

数据登录号

维基百科标题

1-Fluoro-2,4-dinitrobenzene

Chemspider ID

CHEBI ID

美国药典/FDA物质标识码

PubChem CID

CHEMBL

CAS号

EC号

PubChem SID

2489347024866357162081816

MDL号

MFCD00007056

Beilstein号

398632

默克索引号

144172

数据登录号

化合物性质

安全信息

Toxic/Irritant/Moisture Sensitive/Store under Argon/Keep Cold

153

S:36/37/39

26-36/37

24-26-36/37/39-45

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

Apollo Scientific

PC3040

Nucleophiles can displace the activated fluorine atom.Reagent for labelling of terminal amino acid groups.

MP Biomedicals

02101604

Purity: ~98-99%
Reagent for labeling terminal amino acid groups.

02150964

Purity: ~97%
Reagent for labeling terminal amino acid groups.

05202495

MP Biomedicals Rare Chemical collection

Wikipedia

1-Fluoro-2,4-dinitrobenzene

Sigma Aldrich

D1529

包装
10, 25, 100 mL in glass bottle

D196800

包装
100 g in glass bottle
Application
用于标记末端氨基酸基团的试剂。1用于酚的检测。2抑制神经动作电位。3诱导接触性超敏反应。4

42085

包装
50, 250 g in glass bottle

42080

Other Notes
For the modification and determination of amino acids, peptides and phenols 1,2; As a probe for the presence of hydrodisulfide groups in proteins3, For the detection of amphetamine enantiomers by circular dichroism spectroscopy4.

描述信息

参考文献

PubChem文献

数据源提供

• Biochem. J. , 45 : 563 (1949).

• The activated fluoro-substituent is readily displaced by nucleophiles under mild conditions. The anomeric center of a carbohydrate has been protected as the 2,4-dinitrophenyl ether in the presence of DABCO in DMF: Rec. Trav. Chim., 99, 355 (1980).

• Has been used as a means of protection for the thiol group. The resulting thioether can be cleaved quantitatively with 2-mercaptoethanol: Biochem. Biophys. Res. Commun., 29, 178 (1967).

• Used for labelling terminal amino acids in peptides: Biochem. J., 45, 563 (1949); Biochemistry, 20, 512 (1981).

• Can also be used for the masking of the imidazole ring in histidine as the 2,4-dinitrophenyl derivative during peptide synthesis, introduced in the presence of, e.g. K₂CO₃: Biochem. Biophys. Acta., 82, 412 (1964). The group can be cleaved by treatment with thioglycolic acid, mercaptoethanol, dithiothreitol or thiophenol: Biochem. Biophys. Res. Commun., 29, 178 (1967); Biochemistry, 9, 5122 (1970). The electron withdrawing character of the group has been shown to reduce racemization promoted by the imidazole function: J. Biol. Chem., 247, 4768 (1972). See Appendix 6.

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

IUPAC标准名

1-fluoro-2,4-dinitrobenzene

IUPAC传统名

dinitrofluorobenzene

数据登录号

维基百科标题

1-Fluoro-2,4-dinitrobenzene

Chemspider ID

CHEBI ID

美国药典/FDA物质标识码

PubChem CID

CHEMBL

CAS号

EC号

PubChem SID

2489347024866357162081816

MDL号

Beilstein号

默克索引号

描述信息

PC3040

Nucleophiles can displace the activated fluorine atom.Reagent for labelling of terminal amino acid groups.

MP Biomedicals

02101604

Purity: ~98-99%
Reagent for labeling terminal amino acid groups.

02150964

Purity: ~97%
Reagent for labeling terminal amino acid groups.

05202495

MP Biomedicals Rare Chemical collection

Wikipedia

1-Fluoro-2,4-dinitrobenzene

Sigma Aldrich

D1529

包装
10, 25, 100 mL in glass bottle

D196800

包装
100 g in glass bottle
Application
用于标记末端氨基酸基团的试剂。1用于酚的检测。2抑制神经动作电位。3诱导接触性超敏反应。4

42085

包装
50, 250 g in glass bottle

42080

参考文献

PubChem文献

数据源提供

• Biochem. J. , 45 : 563 (1949).

• Has been used as a means of protection for the thiol group. The resulting thioether can be cleaved quantitatively with 2-mercaptoethanol: Biochem. Biophys. Res. Commun., 29, 178 (1967).

• Used for labelling terminal amino acids in peptides: Biochem. J., 45, 563 (1949); Biochemistry, 20, 512 (1981).

生物活性

PubChem BioAssay

化合物性质

安全信息

Toxic/Irritant/Moisture Sensitive/Store under Argon/Keep Cold

153

S:36/37/39

26-36/37

24-26-36/37/39-45

化合物信息

ID:95166