CAS 1772-25-4 1,3,6-Hexanetricarbonitrile - Materials / Alfa Chemistry

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1,3,6-Hexanetricarbonitrile

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Catalog Number

ACM1772254-1

Product Name

1,3,6-Hexanetricarbonitrile

Structure

CAS

1772-25-4

Category

Battery Materials

IUPAC Name

hexane-1,3,6-tricarbonitrile

Molecular Weight

161.21

Molecular Formula

C9H11N3

Canonical SMILES

C(CC#N)CC(CCC#N)C#N

InChI

InChI=1S/C9H11N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-5H2

InChI Key

LNLFLMCWDHZINJ-UHFFFAOYSA-N

Boiling Point

200 °C / 0.2 mmHg

Melting Point

199 °C

Flash Point

85 °C

Purity

>98.0%(GC)

Appearance

Light yellow to Yellow to Orange clear liquid

Storage

Store under inert gas

Complexity

253

Covalently-Bonded Unit Count

EC Number

217-199-7

Exact Mass

161.095297g/mol

Formal Charge

Hazard Statements

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.H227 : Combustible liquid.

Heavy Atom Count

MDL Number

MFCD00129792

Monoisotopic Mass

161.095297g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.P271 : Use only outdoors or in a well-ventilated area.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.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P403 + P235 : Store in a well-ventilated place. Keep cool.P405 : Store locked up.

Refractive Index

1.47

Rotatable Bond Count

Signal Word

Danger

Specific Gravity

1.04

XLogP3

0.4

MSDS

Download MSDS

COA