Basic information
- CAS
341-58-2- Standard SMILES
Nc1ccc(-c2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1- InChIKey
NVKGJHAQGWCWDI-UHFFFAOYSA-N- Molecular formula
- C14H10F6N2
- Average molar mass
- 320.23 g/mol
- Monoisotopic mass
- 320.0748173
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4,4'-diamine, 2,2'-bis(trifluoromethyl)-
- IUPAC
- 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
- English name
- 2,2'-Bis(trifluoromethyl)benzidine
- Molecular formula
- C14H10F6N2
- Molecular weight
- 320.23
Names & synonyms
[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
Show more names
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
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Melting point
- 183 °C · 183 °C
- Boiling point
- 376.9 · 376.9±42.0 °C(Predicted)
- Density
- 1.415 · 1.415±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 3.23 · 3.23±0.10(Predicted)
- color
- 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 DataBase Reference
- 341 · 341-58-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (95.2%)；Eye Irrit. 2 (97.6%)
Safety data
- ridadr
- 2811
- hs_code
- 29215900
- risk_code
- 22-45-50/53-36-25-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T,Xi
- hazard_note
- Toxic
- safety_code
- 22-36/37/39-45-26-37
- hazard_class
- IRRITANT-HARMFUL
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Chemistry & industry
Applications
Description2,2'-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.
Uses2,2'-Bis(trifluoromethyl)benzidine is used for producing a high strength flexible transparent polyimide material.
Upstream & downstream products
Upstream raw materials
Related reactions
11 records
Compound notes
Loading…