3589-41-1

Name N-CARBOBENZOXYAMINOACETONITRILE
CAS 3589-41-1
Molecular Formula C10H10N2O2
MDL Number MFCD00033175
Molecular Weight 190.2
MOL File 3589-41-1.mol

Chemical Properties

Melting point  61-63 °C (lit.)
Boiling point  376.4±35.0 °C(Predicted)
density  1.181±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Sparingly), Methanol (Slightly)
form  Solid
pka 9.75±0.46(Predicted)
color  Off-White
InChI 1S/C10H10N2O2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,7-8H2,(H,12,13)
InChIKey DVUXKEFDAGQPQU-UHFFFAOYSA-N
SMILES O=C(NCC#N)OCc1ccccc1
CAS DataBase Reference 3589-41-1(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302+H312+H332
Precautionary statements  P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36:Wear suitable protective clothing .
RIDADR  3439
WGK Germany  3
HS Code  2926907090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral

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