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HomeProduct name list3,4-Dichlorophenylacetonitrile

3,4-Dichlorophenylacetonitrile

Synonym(s):3,4-Dichlorobenzyl cyanide

  • CAS NO.:3218-49-3
  • Empirical Formula: C8H5Cl2N
  • Molecular Weight: 186.04
  • MDL number: MFCD00001909
  • EINECS: 221-743-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-07-10 15:15:42
3,4-Dichlorophenylacetonitrile Structural

What is 3,4-Dichlorophenylacetonitrile?

Chemical properties

WHITE CRYSTALLINE POWDER

The Uses of 3,4-Dichlorophenylacetonitrile

3,4-Dichlorophenylacetonitrile was used in the synthesis of:

  • SR 48968, a potent, competitive and selective non-peptide antagonist of the neurokinin A (NK2) receptor
  • tachykinin NK3 receptor antagonist SR 142801, (R)-N-[ 1-[3-[ 1-benzoyl-3-(3,4-dichlororphenyl)-3-piperidinyl]propyyl]-4-phenyl-4-piperidinyl-N-methyl acetamide
  • MDL 105,212, a non-peptide tachykinin receptor antagonist

Properties of 3,4-Dichlorophenylacetonitrile

Melting point: 39-42 °C (lit.)
Boiling point: 170 °C/12 mmHg (lit.)
Density  1.4274 (rough estimate)
refractive index  1.5690 (estimate)
Flash point: >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Crystalline Powder
color  White
BRN  638749
Exposure limits NIOSH: IDLH 25 mg/m3
Stability: Light Sensitive
CAS DataBase Reference 3218-49-3(CAS DataBase Reference)
NIST Chemistry Reference 3,4-Dichlorophenylacetonitrile(3218-49-3)

Safety information for 3,4-Dichlorophenylacetonitrile

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 3,4-Dichlorophenylacetonitrile

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