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2-Chlorobenzoylacetonitrile Structure

2-Chlorobenzoylacetonitrile

  • Product Name2-Chlorobenzoylacetonitrile
  • CAS40018-25-5
  • CBNumberCB8304546
  • MFC9H6ClNO
  • MW179.6
  • EINECS609-772-9
  • MDL NumberMFCD00051624
  • MOL File40018-25-5.mol

Chemical Properties

Melting point: 55-59 °C
Boiling point: 302.2±22.0 °C(Predicted)
Density  1.2364 (rough estimate)
refractive index  1.5330 (estimate)
storage temp.  Sealed in dry,Store in freezer, under -20°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 6.41±0.10(Predicted)
color  Yellow to Dark Yellow
Sensitive  Moisture Sensitive
BRN  2413204
InChI InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2
InChIKey SBSWHTFHLWSSQS-UHFFFAOYSA-N
SMILES C1(C=CC=CC=1Cl)C(=O)CC#N
LogP 0.8 at 30℃
CAS DataBase Reference 40018-25-5(CAS DataBase Reference)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
GHS07,GHS06
Signal word  Warning
Hazard statements  H302-H315-H319-H301-H335
Precautionary statements  P261-P280a-P301+P310a-P305+P351+P338-P405-P501a-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Hazard Codes  Xn,T,Xi
Risk Statements  36/37/38-20/21/22
Safety Statements  36/37/39-26-22
RIDADR  3276
PackingGroup  III
HS Code  29269095
REACH Registrations Inactive
NFPA 704:
1
2 0

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