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Methoxyacetonitrile

CAT: 0286-M06560-02Size: 25 mLDry Ice: NoHazardous: Yes
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CAT#:0286-M06560-02Size:25 mL
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CAS Number
1738-36-9
UN Code
UN1993
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00001892
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Flammable Liquids, N.O.S.
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

Methoxyacetonitrile

Methoxyacetonitrile is an aliphatic nitrile that is acetonitrile in which one of the methyl hydrogens is substituted by a methoxy group. It has a role as a polar solvent. It is an ether and an aliphatic nitrile.

CAS Number1738-36-9
PubChem CID74442
IUPAC Name2-methoxyacetonitrile
Molecular FormulaC3H5NO
Molecular Weight71.08
XLogP-0.1
Topological Polar Surface Area33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity51
SMILES
COCC#N
InChI
InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3
InChIKey
QKPVEISEHYYHRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methoxyacetonitrile
CAS: 1738-36-9
CID: 74442
Formula: C3H5NO
MW: 71.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight71.08
XLogP3-0.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass71.037113783
Monoisotopic Mass71.037113783
Topological Polar Surface Area33 Ų
Heavy Atom Count5
Formal Charge0
Complexity51.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
281604-01Methoxyacetonitrile
TRC-M260820-10G2-Methoxyacetonitrile
UFC67101-012- (2-Chlorophenyl) -2-methoxyacetonitrile
EEC96179-012- (4-Fluorophenyl) -2-methoxyacetonitrile
QGC38863-012- (2-Bromophenyl) -2-methoxyacetonitrile
LIC70782-012-[4- (Benzyloxy) phenyl]-2-methoxyacetonitrile
IJC26846-012- (2,4-Dichlorophenyl) -2-methoxyacetonitrile

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