1,2-Dibromo-2,4-dicyanobutane

Base Information

• Chemical Name: 1,2-Dibromo-2,4-dicyanobutane
• CAS No.: 35691-65-7
• Molecular Formula: C6H6Br2N2
• Molecular Weight: 265.935
• Hs Code.: 29269090
• European Community (EC) Number: 252-681-0
• ICSC Number: 1546
• UN Number: 3261
• UNII: YX089CPS05
• DSSTox Substance ID: DTXSID3024944
• Nikkaji Number: J60.889K
• Wikipedia: Methyldibromo_glutaronitrile
• Wikidata: Q1972088
• RXCUI: 1307044
• Metabolomics Workbench ID: 62445
• ChEMBL ID: CHEMBL3188084
• Mol file: 35691-65-7.mol

Synonyms:1,2-dibromo-2,4-dicyanobutane;bromothalonil;Euxyl K 400;Merquat 2200;methyldibromoglutaronitrile;Tektamer 38;Tektamer-38

Chemical Property of 1,2-Dibromo-2,4-dicyanobutane

Chemical Property:

• Appearance/Colour: Crystals with a pungent odor
• Vapor Pressure: 9.71E-05mmHg at 25°C
• Melting Point: 48-50 °C
• Refractive Index: 1.553
• Boiling Point: 338.6 °C at 760 mmHg
• Flash Point: 158.6 °C
• PSA: 47.58000
• Density: 1.889 g/cm³
• LogP: 2.34236
• Storage Temp.: 2-8°C
• Water Solubility.: Insoluble in water
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 265.88772
• Heavy Atom Count: 10
• Complexity: 196
• Transport DOT Label: Corrosive

Purity/Quality:

99% ^*data from raw suppliers

Bromothalonil ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22-37/38-41-34-22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: C(CC(CBr)(C#N)Br)C#N
• Recent EU Clinical Trials: Clinical Evaluation of T.R.U.E. TEST? Panel 3.2 Allergens: Gold Sodium Thiosulfate, Hydrocortisone-17-butyrate, Methyldibromoglutaronitrile, Bacitracin, Parthenolide, Disperse Blue 106, and Bronopol
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization.
• Description: 1,2-Dibromo-2,4-dicyanobutane is the main sensitizer of Euxyl K400, a widely used preservative agent in cosmetics, toiletries or metalwork fluids. Methyldibromo glutaronitrile (MDBGN), also known as dibromocyanobutane, is to be found in the preservative system Euxyl K 400 (also called Tektamer 38), which is a mix of MDBGN and phenoxyethanol in a ratio of 1:4. Euxyl K 400 is a broad‐spectrum preservative with activity against fungi and bacteria. MDBGN is nearly always the allergen when sensitization to Euxyl K 400 occurs.
• Uses: 1,2-Dibromo-2,4-dicyanobutane is a preservative for metalworking fluids, cosmetics, adhesives, latex emulsions and paints, dispersed pigments and detergents; active ingredient in Euxyl K 400 and Tektamer 38.

Technology Process of 1,2-Dibromo-2,4-dicyanobutane

There total 4 articles about 1,2-Dibromo-2,4-dicyanobutane 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:

acrylonitrile (107-13-1,25014-41-9) → 1,2-Dibromo-2,4-dicyanobutane (35691-65-7)

Guidance literature:

acrylonitrile; With triethylamine; zinc(II) chloride; for 1h; Autoclave; Green chemistry; Large scale;

With bromine; In water; at 50 - 100 ℃; for 2h; Green chemistry; Large scale;

Reference yield:

2,4-dicyano-1-butene (1572-52-7) → 1,2-Dibromo-2,4-dicyanobutane (35691-65-7)

Guidance literature:

With bromine; Irradiation;

DOI:10.1002/hlca.19760590121

Reference yield:

→ 1,2-Dibromo-2,4-dicyanobutane (35691-65-7)

Guidance literature:

2-Methylenglutaronitril, Br2 (fl.);

upstream raw materials:

2,4-dicyano-1-butene

acrylonitrile

Downstream raw materials:

2,4-dicyano-1-butene

Refernces

• 1、 -. "Synergetic biocidal composition comprising 2-methylisothiazoline-3-on". . . Retrieved 2008/06/13.
• 2、 -. "Synergistic biocide composition". . . Retrieved 2008/06/13.