CAS 1835-65-0 Tetrafluorophthalonitrile (HCID 74600)

Names & identifiers

Preferred name: Tetrafluorophthalonitrile
IUPAC: 3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile
English name: 3,4,5,6-Tetrafluorophthalonitrile
Molecular formula: C8F4N2
Molecular weight: 200.09

Names & synonyms

Tetrafluorophthalonitrile1835-65-03,4,5,6-Tetrafluorobenzene-1,2-dicarbonitrileEINECS 217-400-83,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrileDTXSID6075142RefChem:188590DTXCID3035840217-400-8InChI=1/C8F4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)1OFLRJMBSWDXSPG-UHFFFAOYSA-N3,4,5,6-Tetrafluorophthalonitrile

Show more names

TFPNTetraflonitriLuorophthaLTetrafluorophthalonitrile98%Tetrafluoro-o-phthalonitrileTetrafluorophthalonitrile 98%Tetrafluorophthalonitrile ,99%

1,2-Benzenedicarbonitrile, 3,4,5,6-tetrafluoro-1,2-Dicyano-3,4,5,6-tetrafluorobenzeneMFCD00001774tetrafluorobenzene-1,2-dicarbonitrileSCHEMBL809214Tetrafluorophthalonitrile, 95%CHEMBL4949346SCHEMBL30542039

Database identifiers

CAS: 1835-65-0
PubChem CID: 74600
DTXSID: DTXSID6075142
ChEMBL: CHEMBL4949346
EC Number: 217-400-8
Nikkaji: J134.911B

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 282

Physicochemical properties

Melting point: 81 · 81-86 °C(lit.)
Boiling point: 274.2 · 274.2±40.0 °C(Predicted)
Density: 1.54 · 1.54±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol,Acetone,Ethanol
form: powder to crystal
color: White to Almost white
InChI: InChI=1S/C8F4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11
InChIKey: OFLRJMBSWDXSPG-UHFFFAOYSA-N
SMILES: C1(C#N)=C(F)C(F)=C(F)C(F)=C1C#N
CAS DataBase Reference: 1835 · 1835-65-0(CAS DataBase Reference)
NIST Chemistry Reference: Tetrafluorophthalonitrile(1835-65-0)
EPA Substance Registry System: Tetrafluorophthalonitrile (1835-65-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36
RIDADR: 3439 · 3439
WGK Germany: 3 · 3
Hazard Note: Irritant/Lachrymator
HazardClass: 6.1 · 6.1(b)
PackingGroup: III
HS Code: 29269090 · 29269090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: 3439
hs_code: 29269090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
hazard_note: Irritant/Lachrymator
safety_code: 26-36
hazard_class: 6.1(b)
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesTetrafluorophthalonitrile was used in the synthesis of dichloro-subphthalocyanine dimers.

General DescriptionTetrafluorophthalonitrile reacts with:copper, copper (I) chloride or copper (II) chloride to yield copper (II) hexadecafluorophthalocyaninepotassium salt of 2-hydroxyhexafluoro-2-propylbenzene to yield 2-phenyl-2-(3,4-dicyano- trifluorophenoxy) hexafluoropropanedipotassium salt of 1,3-bis(2-hdroxyhexafluoro-2- propyl) benzene to yield fluorinated phthalonitrile resins