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(3,4-Dimethoxyphenyl)acetonitrile Structure

(3,4-Dimethoxyphenyl)acetonitrile

  • Product Name(3,4-Dimethoxyphenyl)acetonitrile
  • CAS93-17-4
  • CBNumberCB3254471
  • MFC10H11NO2
  • MW177.2
  • EINECS202-225-1
  • MDL NumberMFCD00001911
  • MOL File93-17-4.mol

Chemical Properties

Melting point: 54-57 °C(lit.)
Boiling point: 171-178 °C10 mm Hg(lit.)
Density  1.1607 (rough estimate)
refractive index  1.5168 (estimate)
Flash point: >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  methanol: 0.1 g/mL, clear
form  Crystals or Crystalline Needles
color  yellow
Water Solubility  insoluble
BRN  1956100
Exposure limits NIOSH: IDLH 25 mg/m3
InChI 1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3
InChIKey ASLSUMISAQDOOB-UHFFFAOYSA-N
SMILES COc1ccc(CC#N)cc1OC
LogP 0.915
CAS DataBase Reference 93-17-4(CAS DataBase Reference)
NIST Chemistry Reference Benzeneacetonitrile, 3,4-dimethoxy-(93-17-4)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302
Precautionary statements  P301+P312+P330
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xn,T
Risk Statements  22-23/24/25-36/37/38-20/21/22
Safety Statements  36/37-45-22-36-26
RIDADR  3276
WGK Germany  3
RTECS  AL9325000
HazardClass  IRRITANT
HS Code  2926909090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
REACH Registrations Active
NFPA 704:
0
3 0

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