3-Methoxypropionitrile
Catalog Number
ACM110678
CAS
110-67-8
IUPAC Name
3-methoxypropanenitrile
Molecular Weight
85.11
Molecular Formula
C4H7NO
Product Information
Canonical SMILES
COCCC#N
Inchi
InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3
InChIKey
OOWFYDWAMOKVSF-UHFFFAOYSA-N
Boiling Point
166 °C
Melting Point
-63 °C
Flash Point
65 °C
Purity
>99.0%(GC)
Appearance
Colorless to Almost colorless clear liquid
storage
Store under inert gas
Complexity
61.2
Condition To Avoid
Hygroscopic
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.H227 : Combustible liquid.
Heavy Atom Count
6
MDL Number
MFCD00001958
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P403 + P235 : Store in a well-ventilated place. Keep cool.
Reaxys Registry Number
1739284
Refractive Index
1.40
Rotatable Bond Count
2
Signal Word
Warning
Specific Gravity
0.94
Monoisotopic Mass
85.052764g/mol
Exact Mass
85.052764g/mol
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