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4-Ethynyltoluene Structure

4-Ethynyltoluene

  • Product Name4-Ethynyltoluene
  • CAS766-97-2
  • CBNumberCB2761370
  • MFC9H8
  • MW116.16
  • EINECS616-371-2
  • MDL NumberMFCD00008571
  • MOL File766-97-2.mol

Chemical Properties

Melting point: 168-170
Boiling point: 168-170 °C(lit.)
Density  0.916 g/mL at 25 °C(lit.)
refractive index  n20/D 1.547(lit.)
Flash point: 120 °F
storage temp.  Sealed in dry,2-8°C
form  Liquid
color  Clear pale yellow
Specific Gravity 0.916
Water Solubility  Insoluble in water.
BRN  969653
InChI InChI=1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3
InChIKey KSZVOXHGCKKOLL-UHFFFAOYSA-N
SMILES C1(C#C)=CC=C(C)C=C1
CAS DataBase Reference 766-97-2(CAS DataBase Reference)
NIST Chemistry Reference Benzene, 1-ethynyl-4-methyl-(766-97-2)

Safety

Symbol(GHS) 
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H315-H319-H335
Precautionary statements  P210-P302+P352-P305+P351+P338
target organs Respiratory system
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  Xi,Xn
Risk Statements  10-36/37/38
Safety Statements  16-26-27-36/37/39
RIDADR  UN 3295 3/PG 3
WGK Germany  3
RTECS  XT2570000
Hazard Note  Irritant/Keep Cold
HazardClass  3
PackingGroup  III
HS Code  29029090
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Limited Quantities 5.0 L (1.3 gallons) (liquid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704:
2
2 0

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4-Ethynyltoluene Chemical Properties,Usage,Production

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