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3-Chlorobenzoylacetonitrile Structure

3-Chlorobenzoylacetonitrile

  • Product Name3-Chlorobenzoylacetonitrile
  • CAS21667-62-9
  • CBNumberCB8133333
  • MFC9H6ClNO
  • MW179.6
  • EINECS626-892-7
  • MDL NumberMFCD00067891
  • MOL File21667-62-9.mol

Chemical Properties

Melting point: 79-83 °C
Boiling point: 347.1±27.0 °C(Predicted)
Density  1.257±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
form  powder to crystal
pka 7.12±0.10(Predicted)
color  White to Light yellow to Light orange
BRN  2414476
InChI InChI=1S/C9H6ClNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2
InChIKey IUDFNNHFARLIPF-UHFFFAOYSA-N
SMILES C1(=CC=CC(Cl)=C1)C(=O)CC#N
CAS DataBase Reference 21667-62-9(CAS DataBase Reference)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302+H312+H332
Precautionary statements  P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xi,Xn
Risk Statements  36/37/38-20/21/22-22
Safety Statements  26-36/37/39-36/37
RIDADR  3276
WGK Germany  3
Hazard Note  Harmful/Irritant
HazardClass  IRRITANT
PackingGroup  III
HS Code  2926909090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
NFPA 704:
1
2 0

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