CAS 341-58-2 (1,1'-Biphenyl)-4,4'-diamine, 2,2'-bis(trifluoromethyl)- (HCID 629349)

名称と識別子

優先名称: (1,1'-Biphenyl)-4,4'-diamine, 2,2'-bis(trifluoromethyl)-
IUPAC: 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
現地名: 2,2'-ビス(トリフルオロメチル)ベンジジン
英語名: 2,2'-Bis(trifluoromethyl)benzidine
分子式: C14H10F6N2
分子量: 320.23

名称と別名

[1,1'-Biphenyl]-4,4'-diamine, 2,2'-bis(trifluoromethyl)-(1,1'-Biphenyl)-4,4'-diamine, 2,2'-bis(trifluoromethyl)-RefChem:391072671-105-2341-58-22,2'-Bis(trifluoromethyl)benzidine2,2'-bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diamine4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)anilineTFMBMFCD001901552,2'-Bis(trifluoromethyl)-4,4'-diaminobiphenyl2,2'-Bis-trifluoromethyl-biphenyl-4,4'-diamine

名称をさらに表示

2,2'-ビス(トリフルオロメチル)ベンジジン4,4'-ジアミノ-2,2'-ビス(トリフルオロメチル)ビフェニル2,2′-ジ(トリフルオロメチル)ビフェニル-4,4′-ジアミン2,2′-ビス(トリフルオロメチル)ビフェニル-4,4′-ジアミン2,2′-ビス(トリフルオロメチル)ベンジジン2,2′-ジ(トリフルオロメチル)-1,1′-ビフェニル-4,4′-ジアミン2,2′-ビス(トリフルオロメチル)-4,4′-ジアミノ-1,1′-ビフェニル3,3′-ビス(トリフルオロメチル)-4,4′-ビ(アニリン)3,3′-ビス(トリフルオロメチル)-4,4′-ビ[アニリン]2,2'-ビス(トリフルオロメチル)-[1,1'-ビフェニル]-4,4'-ジアミン4,4′-ビ[3-(トリフルオロメチル)アニリン]4,4′-ビ[3-(トリフルオロメチル)ベンゼンアミン]2,2′-ビス(トリフルオロメチル)-4,4′-ジアミノビフェニル2,2′-ビス(トリフルオロメチル)-4,4′-ビフェニルジアミン2,2′-ジ(トリフルオロメチル)ベンジジン2,2′-ビス(トリフルオロメチル)-1,1′-ビフェニル-4,4′-ジアミンTFDBABL-2122TFMBTFDB(TFMB)TFMB/ TFDB2,2'-Bis(trifluorome2,2'-Bis(trifluoromethyl2,2'-bis(trifluoromethyl)

MLS000033290C14H10F6N2AS-14398SMR000009610SY0164814,4'-Diamino-2,2'-bis(trifluoromethyl)biphenyl2,2'-BIS(TRIFLUOROMETHYL)BENZIDINE 2,2'-bis(trifluoromethyl)benzidine (TFMB)/(TFDB)2,2'-Bis(trifluoromethyl)-4,4'-biphenyldiamine

データベース識別子

CAS: 341-58-2
PubChem CID: 629349
DTXSID: DTXSID70348007
ChEMBL: CHEMBL1377207
EC Number: 671-105-2
Nikkaji: J624.943D

物性

構造計算による物性

XLogP: 4
極性表面積: 52 Å²
水素結合供与体数: 2
水素結合受容体数: 8
回転可能結合数: 1
重原子数: 22
形式電荷: 0
複雑度: 345

物理化学的性質

融点: 183 °C · 183 °C
沸点: 376.9 · 376.9±42.0 °C(Predicted)
比重(密度): 1.415 · 1.415±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 3.23 · 3.23±0.10(Predicted)
色: White to Light yellow to Light orange
InChI: InChI=1S/C14H10F6N2/c15-13(16,17)11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)14(18,19)20/h1-6H,21-22H2
InChIKey: NVKGJHAQGWCWDI-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(N)C=C2C(F)(F)F)=CC=C(N)C=C1C(F)(F)F
CAS データベース: 341 · 341-58-2(CAS DataBase Reference)

化学的性質

化学的特性2,2'-Bis(trifluoromethyl)benzidine is rigid and aromatic, the two fluoromethyl groups have strong electron withdrawing effect, reducing the electron delocalization of the π orbital on the fully conjugated polymer backbone.

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 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 (95.2%)；Eye Irrit. 2 (97.6%)

安全データ

ridadr: 2811
hs_code: 29215900
risk_code: 22-45-50/53-36-25-36/37/38
hazard_code: T,Xi
hazard_note: Toxic
safety_code: 22-36/37/39-45-26-37
hazard_class: IRRITANT-HARMFUL

化学と産業

応用分野 · 2 件

説明2,2'-Bis(trifluoromethyl)benzidine (TFMB) is a fluorinated benzidine derivative with two trifluoromethyl substituents at the 2- and 2'-positions. 2,2'-Bis(trifluoromethyl)benzidine (TFMB) is a rigid and aromatic polyimide used in the synthesis of metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) of high specific surface area.TFMB is also synthesised as UV-resistant and colourless polyimide thin films for optoelectronic applications. TFMB is also used to synthesise UV resistant and colourless polyimide films for optoelectronic applications. The two fluoromethyl groups have a strong electron-withdrawal effect, which reduces the electron dispersion in the π-orbitals of the fully conjugated polymer backbone. This effect results in a much higher transparency of the polyimide film compared to polyimide films containing methyl substituents. This polyimide can be used for the encapsulation of solar cells with MOFs cluster light diffusers.

使用2,2'-Bis(trifluoromethyl)benzidine is used for producing a high strength flexible transparent polyimide material.