ChemicalBook CAS DataBase List 3018-12-0

3018-12-0

Name	Dichloroacetonitrile
CAS	3018-12-0
EINECS(EC#)	221-159-4
Molecular Formula	C2HCl2N
MDL Number	MFCD00040886
Molecular Weight	109.94
MOL File	3018-12-0.mol

Chemical Properties

Appearance	colourless liquid
Boiling point	110-112 °C(lit.)
density	1.369 g/mL at 25 °C(lit.)
refractive index	n20/D 1.44(lit.)
Fp	96 °F
storage temp.	0-6°C
solubility	soluble in Methanol
form	neat
color	Colorless to Light yellow to Light orange
Specific Gravity	1.37
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
BRN	1739029
Exposure limits	NIOSH: IDLH 25 mg/m3
CAS DataBase Reference	3018-12-0(CAS DataBase Reference)
IARC	3 (Vol. 52, 71) 1999
NIST Chemistry Reference	Acetonitrile, dichloro-(3018-12-0)
EPA Substance Registry System	3018-12-0(EPA Substance)

Safety Data

Hazard Codes	C
Risk Statements	R10:Flammable. R22:Harmful if swallowed. R34:Causes burns. less more
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) . S25:Avoid contact with eyes . S16:Keep away from sources of ignition-No smoking . less more
RIDADR	UN 2920 8/PG 2
WGK Germany	3
RTECS	AL8465000
F	9-19
HazardClass	3
PackingGroup	II
HS Code	29269090
Hazardous Substances Data	3018-12-0(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

General Description

Clear liquid.

Reactivity Profile

DICHLOROACETONITRILE(3018-12-0) is a halogenated nitrile. Nitriles may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents.

Air & Water Reactions

Burns slowly, emitting a thick black smoke, but will not flash . Water soluble.

Health Hazard

ACUTE/CHRONIC HAZARDS: When heated to decomposition this chemical emits toxic fumes of chlorine, cyanides and nitrogen oxides.

Fire Hazard

This chemical is probably combustible.

Chemical Properties

colourless liquid

Uses

Dichloroacetonitrile can be used as a reactant to prepare:

Chiral α, α-dichloro-β-aminonitriles via Pd-catalyzed enantioselective Mannich-type reaction with imines.
α, α-dialkyl-substituted nitriles by an alkylation reaction with trialkylboranes in the presence of phenoxide base as a base.
Halogenated pyridines via copper-catalyzed reaction with methacrolein.
α,α-dichloro-β-hydroxy nitriles by condensation reaction with aldehydes and ketones in the presence of an alkoxide base.
Selenium heterocycle derivatives via Diels–Alder cyclization with selenoaldehydes.
Dichloroacetonitrile can also be used to develop an efficient method for the extraction and determination of common volatile halogenated disinfection by-products using the static headspace technique coupled with gas chromatography-mass spectrometry.

Definition

ChEBI: Dichloroacetonitrile is an aliphatic nitrile.

Biochem/physiol Actions

Dichloroacetonitrile is direct-acting mutagen and induces DNA strand breaks in cultured human lymphoblastic cells. It induces apoptosis or necrosis in murine macrophage cell line via reactive oxygen intermediates-mediated oxidative mechanisms of cellular damage.

Purification Methods

Purify the nitrile by distillation or by gas chromatography. [Beilstein 2 IV 506.] FLAMMABLE.

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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