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1,3,6-Hexanetricarbonitrile

Catalog Number
ACM1772254-1
CAS Number
1772-25-4
Product Name
1,3,6-Hexanetricarbonitrile
Structure
Category
Battery Materials; Electronic 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
1
EC Number
217-199-7
Exact Mass
161.095297g/mol
Formal Charge
0
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
12
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
5
Signal Word
Danger
Specific Gravity
1.04
XLogP3
0.4
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