2,4-Dinitrobenzenethiol

Base Information

• Chemical Name: 2,4-Dinitrobenzenethiol
• CAS No.: 2218-96-4
• Molecular Formula: C6H4 N2 O4 S
• Molecular Weight: 200.175
• DSSTox Substance ID: DTXSID80176717
• Nikkaji Number: J41.341K
• Wikidata: Q83047010
• Mol file: 2218-96-4.mol

Synonyms:2,4-Dinitrobenzenethiol;2218-96-4;Benzenethiol, 2,4-dinitro-;BRN 2053148;2,4-dinitrophenylmercaptan;2,4-Dinitrobenzene-1-thiol;2,4-DINITROTHIOPHENOL;SCHEMBL28618;C6H4N2O4S;DTXSID80176717;C6-H4-N2-O4-S;CAA21896;LS-32191;EN300-94691

Chemical Property of 2,4-Dinitrobenzenethiol

Chemical Property:

• Vapor Pressure: 9.54E-05mmHg at 25°C
• Boiling Point: 349.3°Cat760mmHg
• Flash Point: 165.1°C
• Density: 1.592g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 199.98917779
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A poison by ingestion.
• Hazard Codes: A poison by ingestion.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S

Technology Process of 2,4-Dinitrobenzenethiol

There total 67 articles about 2,4-Dinitrobenzenethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 73.0%

1-chloro-2,4-dinitro-benzene (97-00-7) + sodium thioethylate (811-51-8) → 2,4-dinitrophenyl ethyl sulfide (7343-55-7) + 2,4-dinitrothiophenol (2218-96-4)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; In N,N-dimethyl-formamide; at 10 ℃; Electrolysis;

DOI:10.1021/jo010847t

Reference yield: 10.0%

1-chloro-2,4-dinitro-benzene (97-00-7) → 2,4-dinitrothiophenol (2218-96-4)

Guidance literature:

With sodium sulfide; In carbon disulfide; butanone; for 5h; Ambient temperature;

Reference yield:

piperidine (110-89-4) + S-2,4-dinitrophenyl thiobenzoate (35539-24-3) → N-benzoylpiperidine (776-75-0) + 2,4-dinitrothiophenol (2218-96-4)

Guidance literature:

With potassium chloride; In ethanol; water; at 25 ℃; pH=10.52; Further Variations:; pH-values; Kinetics;

DOI:10.1021/jo051052f

upstream raw materials:

2,4-dinitro-phenyl thiocyanate

1-(2,4-dinitrophenyl)-pyridinium chloride

DL-thiomalic acid

2,4-dinitrobenzenesulfenyl chloride

Downstream raw materials:

3-(2,4-dinitrophenylsulfanyl)propanoic acid

1-butylsulfanyl-2,4-dinitro-benzene

3-(2,4-dinitro-phenylsulfanyl)-propionitrile

formaldehyde-[bis-(2,4-dinitro-phenyl)-dithioacetal]

Refernces

• 1、 Xie, Puhui,Zhu, Yanru,Huang, Xuewei,Gao, Guangqin,Guo, Fengqi,Yang, Guoyu. "A new near-infrared fluorescent chemodosimeter for discrimination of sulfide from disulfide". . p. 2823 - 2837. Retrieved 2018.
• 2、 Chen, Lin,Hou, Shuhua,Li, Xuepeng,Tang, Lijun,Tang, Yiwei,Yan, Xiaomei,Zhong, Keli. "Dual-functional multi-application probe: Rapid detection of H2S and colorimetric recognition of HSO3? in food and cell". . . Retrieved 2020.
• 3、 Xu, Kaixin,He, Longwei,Yang, Yunzhen,Lin, Weiying. "A PET-based turn-on fluorescent probe for sensitive detection of thiols and H2S and its bioimaging application in living cells, tissues and zebrafish". supporting information. p. 2865 - 2869. Retrieved 2019/02/17.