テトラフルオロフタロニトリル

Tetrafluorophthalonitrile

HCID 74600CAS 1835-65-0

部分構造検索類似構造を探す

基本情報

標準SMILES: N#Cc1c(F)c(F)c(F)c(F)c1C#N
InChIKey: OFLRJMBSWDXSPG-UHFFFAOYSA-N
分子式: C8F4N2
平均分子量: 200.09 g/mol
単同位体質量: 199.99976088

名称と識別子

優先名称: Tetrafluorophthalonitrile
IUPAC: 3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile
現地名: テトラフルオロフタロニトリル
英語名: 3,4,5,6-Tetrafluorophthalonitrile
分子式: C8F4N2
分子量: 200.09

名称と別名

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

名称をさらに表示

テトラフルオロフタロニトリル3,4,5,6-テトラフルオロフタロニトリル3,4,5,6-テトラフルオロ-1,2-ベンゼンジカルボニトリル1,2-ジシアノ-3,4,5,6-テトラフルオロベンゼンテトラフルオロベンゼン-1,2-ジカルボニトリル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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.8
極性表面積: 47.6 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 282

物理化学的性質

融点: 81 · 81-86 °C(lit.)
沸点: 274.2 · 274.2±40.0 °C(Predicted)
比重(密度): 1.54 · 1.54±0.1 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Methanol,Acetone,Ethanol
外見: powder to crystal
色: 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 データベース: 1835 · 1835-65-0(CAS DataBase Reference)
NISTの化学物質情報: Tetrafluorophthalonitrile(1835-65-0)
EPAの化学物質情報: Tetrafluorophthalonitrile (1835-65-0)

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

安全データ

wgk: 3
ridadr: 3439
hs_code: 29269090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant/Lachrymator
safety_code: 26-36
hazard_class: 6.1(b)
packing_group: III
毒劇物取締法: 劇物
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用Tetrafluorophthalonitrile was used in the synthesis of dichloro-subphthalocyanine dimers.

一般的な説明Tetrafluorophthalonitrile 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