3-Methoxypropionitrile

Catalog Number

ACM110678

Product Name

3-Methoxypropionitrile

Structure

CAS

110-67-8

Category

Heterocyclic Organic Compound

IUPAC Name

3-methoxypropanenitrile

Molecular Weight

85.11

Molecular Formula

C4H7NO

Canonical SMILES

COCCC#N

InChI

InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3

InChI Key

OOWFYDWAMOKVSF-UHFFFAOYSA-N

Boiling Point

166 °C

Melting Point

-63 °C

Flash Point

65 °C

Appearance

Colorless to Almost colorless clear liquid

Storage

Store under inert gas

Complexity

61.2

Condition To Avoid

Hygroscopic

Covalently-Bonded Unit Count

1

EC Number

203-790-7

Exact Mass

85.052764g/mol

Formal Charge

0

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.H227 : Combustible liquid.

H-Bond Acceptor

2

H-Bond Donor

0

Heavy Atom Count

6

MDL Number

MFCD00001958

Monoisotopic Mass

85.052764g/mol

NSC Number

61486;4090

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.

Refractive Index

1.40

Rotatable Bond Count

2

Signal Word

Warning

SpecificGravity

0.94

XLogP3

-0.2

MSDS

COA

Spec Sheet