Bromopicrin

Base Information

• Chemical Name: Bromopicrin
• CAS No.: 464-10-8
• Molecular Formula: CBr3 N O2
• Molecular Weight: 297.728
• Hs Code.: 2904909090
• European Community (EC) Number: 207-348-4
• UNII: 3412AKG60Q
• DSSTox Substance ID: DTXSID8021511
• Nikkaji Number: J2.593C
• Wikidata: Q4912402
• Mol file: 464-10-8.mol

Synonyms:Tribromonitromethane;Bromopicrin;tribromo(nitro)methane;464-10-8;Nitrobromoform;Methane, tribromonitro-;Nitrotribromomethane;CCRIS 5977;Methane, nitrotribromo-;EINECS 207-348-4;BRN 1756139;UNII-3412AKG60Q;Bromopicrin (tribromonitromethane);3412AKG60Q;Brompikrin;CBr3NO2;DL-Carnitinehydrochloride;C-Br3-N-O2;SCHEMBL1775867;DTXSID8021511;AKOS040758148;AKOS040766801;LS-1279;HY-133635;CS-0128461;FT-0675422;Q4912402

Chemical Property of Bromopicrin

Chemical Property:

• Vapor Pressure: 2.96mmHg at 25°C
• Melting Point: 10°C
• Refractive Index: 1.5769
• Boiling Point: 155.9°Cat760mmHg
• Flash Point: 48.1°C
• PSA: 45.82000
• Density: 3.056g/cm³
• LogP: 2.58230
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 296.74587
• Heavy Atom Count: 7
• Complexity: 79.9

Purity/Quality:

99% ^*data from raw suppliers

Tribromonitromethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Other Toxic Gases & Vapors
• Canonical SMILES: C([N+](=O)[O-])(Br)(Br)Br

Technology Process of Bromopicrin

There total 43 articles about Bromopicrin 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: 97.1%

nitromethane (75-52-5) → bromopicrin (464-10-8)

Guidance literature:

With bromine; sodium hydroxide; In water; at 20 - 41 ℃; pH=6 - 9;

Reference yield: 94.5%

nitromethane (75-52-5) → dibromonitromethane (598-91-4) + bromopicrin (464-10-8)

Guidance literature:

With sodium hydroxide; bromine; In water; at 22 - 45 ℃; for 4 - 6h; Product distribution / selectivity; Industry scale;

Reference yield: 92.6%

nitromethane (75-52-5) → dibromonitromethane (598-91-4) + bromopicrin (464-10-8) + tetrabromo-1,2-dinitro-ethane

Guidance literature:

With sodium hydroxide; bromine; In water; at 24 - 48 ℃; for 3.5 - 4h; Product distribution / selectivity;

upstream raw materials:

nitromethane

2-bromo-2-nitro-1,3-propanediol

5-bromo-5-nitrobarbituric acid

2,4,6-Trinitrophenol

Downstream raw materials:

diphenyldisulfane

bromo-1 methoxy-2 cyclohexane

di(p-tolyl) disulfide

Bromotrifluoromethane

Refernces

• 1、 -. "CONTINUOUS PROCESS OF PREPARING BROMOPICRIN". Page/Page column 25-28. . Retrieved 2009/01/20.
• 2、 Plewa, Michael J.,Wagner, Elizabeth D.,Jazwierska, Paulina,Richardson, Susan D.,Chen, Paul H.,McKague, A. Bruce. "Halonitromethane Drinking Water Disinfection Byproducts: Chemical Characterization and Mammalian Cell Cytotoxicity and Genotoxicity". . p. 62 - 68. Retrieved 2007/10/03.