10222-01-2

Name 2,2-Dibromo-2-cyanoacetamide
CAS 10222-01-2
EINECS(EC#) 233-539-7
Molecular Formula C3H2Br2N2O
MDL Number MFCD00129791
Molecular Weight 241.87
MOL File 10222-01-2.mol
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Chemical Properties

Appearance white powder
Melting point  122-125 °C(lit.)
Boiling point  123-126 °C
density  2.3846 (rough estimate)
refractive index  1.6220 (estimate)
storage temp.  Inert atmosphere,2-8°C
solubility  DMSO (Sparingly), Methanol (Slightly)
Water Solubility  Slightly soluble in water
form  powder to crystal
pka 11.72±0.50(Predicted)
color  White to Light yellow to Light orange
Odor antiseptic odor
Stability: Stable, but may be moisture sensitive. Incompatible with strong oxidizing agents.
Henry's Law Constant 5.2×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Cosmetics Ingredients Functions ANTIMICROBIAL
PRESERVATIVE
InChI 1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)
InChIKey UUIVKBHZENILKB-UHFFFAOYSA-N
SMILES NC(=O)C(Br)(Br)C#N
LogP 0.820
CAS DataBase Reference 10222-01-2(CAS DataBase Reference)
EPA Substance Registry System 10222-01-2(EPA Substance)
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Safety Data

Symbol(GHS)  Corrosion (GHS05)Skull and Crossbones (GHS06)Environment (GHS09)
GHS05,GHS06,GHS09
Signal word  Danger
Hazard statements  H301-H315-H317-H318-H330-H410
Precautionary statements  P273-P280-P301+P310+P330-P302+P352-P304+P340+P310-P305+P351+P338+P310
Hazard Codes  C,Xn
Risk Statements 
R34:Causes burns.
R43:May cause sensitization by skin contact.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  UN 1759 8/PG 3
WGK Germany  3
RTECS  AB5956000
TSCA  TSCA listed
HazardClass  6.1(b)
PackingGroup  III
HS Code  29209090
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Inhalation
Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Irrit. 2
Skin Sens. 1
STOT RE 1 Inhalation
Safety Profile
Poison by ingestion and intravenous routes. A severe skin and eye irritant. When heated to decomposition it emits very toxic fumes of Brand NO,. See also NITRILES.
Hazardous Substances Data 10222-01-2(Hazardous Substances Data)
Toxicity
LD50 oral in mammal (species unspecified): 118mg/kg

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