93-17-4

Name (3,4-Dimethoxyphenyl)acetonitrile
CAS 93-17-4
EINECS(EC#) 202-225-1
Molecular Formula C10H11NO2
MDL Number MFCD00016395
Molecular Weight 177.2
MOL File 93-17-4.mol
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Chemical Properties

Appearance white to almost white crystals or cryst. needles
Melting point  54-57 °C(lit.)
Boiling point  171-178 °C10 mm Hg(lit.)
density  1.1607 (rough estimate)
refractive index  1.5168 (estimate)
Fp  >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)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P301+P312+P330
Hazard Codes  Xn,T
Risk Statements 
R22:Harmful if swallowed.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S22:Do not breathe dust .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  3276
WGK Germany  3
RTECS  AL9325000
Hazard Note  Irritant
REACH Registrations Active
HazardClass  IRRITANT
HS Code  29269090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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