1835-49-0

Name Tetrafluoroterephthalonitrile
CAS 1835-49-0
EINECS(EC#) 217-397-3
Molecular Formula C8F4N2
MDL Number MFCD00001776
Molecular Weight 200.09
MOL File 1835-49-0.mol

Chemical Properties

Appearance YELLOW TO YELLOW-GREEN CRYSTALS
Melting point  197-199 °C (lit.)
Boiling point  243.3±40.0 °C(Predicted)
density  1.6184 (estimate)
storage temp.  Sealed in dry,2-8°C
solubility  Soluble in hot methanol.
form  Solid
color  White to Light yellow
InChI InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11
InChIKey PCRSJGWFEMHHEW-UHFFFAOYSA-N
SMILES C1(C#N)=C(F)C(F)=C(C#N)C(F)=C1F
CAS DataBase Reference 1835-49-0(CAS DataBase Reference)
NIST Chemistry Reference 1,4-Benzenedicarbonitrile, 2,3,5,6-tetrafluoro-(1835-49-0)
EPA Substance Registry System 1835-49-0(EPA Substance)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H301-H315-H319-H335
Precautionary statements  P261-P264-P270-P301+P310-P302+P352-P305+P351+P338
Hazard Codes  T,Xi
Risk Statements 
R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21:Harmful by inhalation and in contact with skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
S22:Do not breathe dust .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN 3439 6.1/PG 3
WGK Germany  3
RTECS  CZ1955000
Hazard Note  Toxic
HazardClass  6.1(b)
PackingGroup  III
HS Code  29269090
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Toxicity
mouse,LD50,oral,56mg/kg (56mg/kg),Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.

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