1,3-DICHLOROACETONE

PRODUCT IDENTIFICATION
CAS NO. 534-07-6

1,3-DICHLOROACETONE

EINECS NO. 208-585-6
FORMULA ClCH2COCH2Cl
MOL WT. 126.97

H.S. CODE

 2914.70.9000

TOXICITY

 Oral, rat LD50: 20 mg/kg
SYNONYMS 1,3-Dichloro-2-propanone; 1,3-Dichloropropanone;
bis(Chloromethyl ketone); 1,3-Dichloroacetona (Spanish); Dichloro-1,3 acetone (French); alpha,alpha'-Dichloroacetone; Bis(chloromethyl)ketone;
SMILES

C(CCl)(CCl)=O

CLASSIFICATION

  

PHYSICAL AND CHEMICAL PROPERTIES
PHYSICAL STATE white to pale yellow crystalline powder
MELTING POINT 41 - 45 C
BOILING POINT 173 C
SPECIFIC GRAVITY 1.383
SOLUBILITY IN WATER Soluble (5.52E+04 mg/l at 25 C)
pH  
VAPOR DENSITY

4.38

AUTOIGNITION

 

pKa (Dissociation Constant at 20 C)
log Pow (Octanol-water)
VAPOR PRESSURE (mmHg at 25 C)
HENRY'S LAW 6.15E-06 (atm-m3/mole at 25 C)
OH RATE 5.32E-13  at 25 C (Atmospheric)

NFPA RATINGS

 Health: 4; Flammability: 1; Reactivity: 0

REFRACTIVE INDEX

  
FLASH POINT

 

STABILITY Stable under ordinary conditions.

APPLICATIONS
1,3-Dichloro Acetone is used as a solvent and as an intermediate for pesticides and pharmaceuticals. An example of end product is famotidine [N'-(aminosulfonyl)-3- (((2-((diamino methylene) amino)-4-thiazolyl) methyl)thio) propanimidamide], an H2-receptor antagonist.
SALES SPECIFICATION

APPEARANCE

 white to pale yellow crystalline powder

ASSAY

 99.0% min

LOSS ON DRYING

0.5% max
TRANSPORTATION
PACKING

 

HAZARD CLASS 6.1 (Packing Group: II)
UN NO. 2649
OTHER INFORMATION
Hazard Symbols: XI T+, Risk Phrases: 24/26/28/36/38, Safety Phrases: 36/37/39/45