Tetrafluoroterephthalonitrile (HCID 15783)

名称と識別子

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

名称と別名

Tetrafluoroterephthalonitrile1835-49-01,4-BENZENEDICARBONITRILE, 2,3,5,6-TETRAFLUORO-2,3,5,6-Tetrafluoro-1,4-benzenedicarbonitrileTerephthalonitrile, tetrafluoro-K9NAY7JK97NSC-97007DTXSID1075141TFTPNRefChem:188591DTXCID4035839217-397-3

名称をさらに表示

テトラフルオロテレフタロニトリル2,3,5,6-テトラフルオロ-1,4-ベンゼンジカルボニトリル2,3,5,6-テトラフルオロベンゼン-1,4-ジカルボニトリルテトラフルオロ-1,4-ベンゼンジカルボニトリルダイアモンド2031ペルフルオロテレフタロニトリル2,3,5,6-テトラフルオロテレフタロニトリルテトラフルオロテレフタロニトリル, 98%2,3,5,6-テトラ(フルオロ)テレフタロニトリルテトラフルオロベンゼン-1,4-ジカルボニトリル2,3,5,6-テトラフルオロ-テレフタロニトリルetrafluoroterephthalonitrileJJFCdiamond2031JACS-1835-49-0uoroterephthaLTetrafluorobenzonitrilePTFEtwo of benzenenitrile

2,3,5,6-TetrafluoroterephthalonitrileDiamond 20312,3,5,6-tetrafluorobenzene-1,4-dicarbonitrilePerfluoroterephthalonitrile1,4-DicyanotetrafluorobenzeneMFCD00001776TetrafluoroterephthalodinitrileEINECS 217-397-3

データベース識別子

CAS: 1835-49-0
PubChem CID: 15783
DTXSID: DTXSID1075141
ChEMBL: CHEMBL3248223
UNII: K9NAY7JK97
EC Number: 217-397-3
Nikkaji: J1.782E

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: 266

物理化学的性質

融点: 197 · 197-199 °C (lit.)
沸点: 243.3 · 243.3±40.0 °C(Predicted)
比重(密度): 1.6184 · 1.6184 (estimate)
貯蔵温度: 2 · 2-8°C
溶解性: 熱メタノールに可溶。
外見: 個体
色: 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 データベース: 1835 · 1835-49-0(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1,4-Benzenedicarbonitrile, 2,3,5,6-tetrafluoro-(1835-49-0)
EPAの化学物質情報: Tetrafluoroterephthalonitrile (1835-49-0)

化学的性質

化学的特性YELLOW TO YELLOW-GREEN CRYSTALS

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (97.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (95.6%)

安全データ

wgk: 3
rtecs: CZ1955000
ridadr: UN 3439 6.1/PG 3
毒性: mouse,LD50,oral,56mg/kg (56mg/kg),Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.
hs_code: 29269090
risk_code: 25-36/37/38-20/21-23/24/25-36/37/39-20/21/22
hazard_code: T,Xi
hazard_note: Toxic
safety_code: 26-45-37/39-22-36/37/39-27
hazard_class: 6.1(b)
packing_group: III
毒劇物取締法: 劇物
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野

使用Tetrafluoroterephthalonitrile can be used as a synthessi reagent primarily used to create polymers of intinsic microporosity.

一般的な説明Tetrafluoroterephthalonitrile reacts with alkyl Grignard reagents to form corresponding 4-alkyltetrafluorobenzonitriles. Tetrafluoroterephthalonitrile acts as a four-electron donor ligand and forms tungsten(II)η2-nitrile complexes.