CAS 6959-71-3 3-Butoxypropionitrile - Materials / Alfa Chemistry

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3-Butoxypropionitrile

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Catalog Number

ACM6959713-1

CAS Number

6959-71-3

Product Name

3-Butoxypropionitrile

Structure

Category

Battery Materials; Electronic Materials

Synonyms

1-(2-Cyanoethoxy)butane

IUPAC Name

3-butoxypropanenitrile

Molecular Weight

127.19

Molecular Formula

C7H13NO

Canonical SMILES

CCCCOCCC#N

InChI

InChI=1S/C7H13NO/c1-2-3-6-9-7-4-5-8/h2-4,6-7H2,1H3

InChI Key

AWVNJBFNHGQUQU-UHFFFAOYSA-N

Boiling Point

206 °C

Flash Point

89 °C

Purity

>96.0%(GC)

Appearance

Colorless to Light yellow clear liquid

Storage

Store under inert gas

Complexity

92.3

Covalently-Bonded Unit Count

EC Number

230-153-0

Exact Mass

127.099714g/mol

Formal Charge

Hazard Statements

H320 : Causes eye irritation.H227 : Combustible liquid.

Heavy Atom Count

MDL Number

MFCD00045643

Monoisotopic Mass

127.099714g/mol

NSC Number

65452

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.P403 + P235 : Store in a well-ventilated place. Keep cool.

Refractive Index

1.42

Rotatable Bond Count

Signal Word

Warning

Specific Gravity

0.89

XLogP3

MSDS

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COA

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