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DBDCB Structure

DBDCB

Chemical Properties

Melting point 48-50°C
Boiling point 338.6±42.0 °C(Predicted)
Density  1.9436 (rough estimate)
refractive index  1.6300 (estimate)
storage temp.  2-8°C
Water Solubility  Insoluble in water
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
color  White to Almost white
Merck  14,3021
BRN  1930600
Henry's Law Constant 1.2×103 mol/(m3Pa) at 25℃, HSDB (2015)
Major Application environmental
Cosmetics Ingredients Functions PRESERVATIVE
Cosmetic Ingredient Review (CIR) DBDCB (35691-65-7)
InChI InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2
InChIKey DHVLDKHFGIVEIP-UHFFFAOYSA-N
SMILES C(#N)C(Br)(CBr)CCC#N
LogP 1.515 (est)
CAS DataBase Reference 35691-65-7(CAS DataBase Reference)
EPA Substance Registry System 1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile (35691-65-7)

Safety Information

Hazard Codes  Xn
Risk Statements  20/22-37/38-41-34-22
Safety Statements  26-36/37/39-45
RIDADR  3439
WGK Germany  2
RTECS  MA5599000
TSCA  TSCA listed
HazardClass  9
PackingGroup  III
HS Code  29269090
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Acute Tox. 4 Oral
Skin Corr. 1B
Hazardous Substances Data 35691-65-7(Hazardous Substances Data)

MSDS

Usage And Synthesis

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