3,3'-Bis(trifluoromethyl)benzidine

HCID 2736115

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Basic information

CAS: 346-88-3
Standard SMILES: Nc1ccc(-c2ccc(N)c(C(F)(F)F)c2)cc1C(F)(F)F
InChIKey: PJWQLRKRVISYPL-UHFFFAOYSA-N
Molecular formula: C14H10F6N2
Average molar mass: 320.23 g/mol
Monoisotopic mass: 320.0748173

Names & identifiers

Preferred name: 3,3'-Bis(trifluoromethyl)benzidine
IUPAC: 4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
English name: 3,3'-BIS(TRIFLUOROMETHYL)BENZIDINE
Molecular formula: C14H10F6N2
Molecular weight: 320.23

Names & synonyms

3,3'-Bis(trifluoromethyl)benzidineRefChem:484948692-874-0346-88-33,3'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diamine4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline3,3'-Di(trifluoromethyl)benzidineMFCD0023667233TFMBSCHEMBL349356SCHEMBL29403371DTXSID10371137

Show more names

3,3-Bis(trifluoromethyl)-4,4-diphenylenediamine[1,1'-Biphenyl]-4,4'-diamine, 3,3'-bis(trifluoromethyl)-3,3'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diamine97%3,3'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diamine 97%

PJWQLRKRVISYPL-UHFFFAOYSA-N3,3'-bis (trifluoromethyl)benzidineAKOS005216481PS-70483,3'-Bis(trifluoromethyl)benzidine97%DB-0217983,3'-BIS(TRIFLUOROMETHYL)-BENZIDINE3,3'-bis(trifluoromethyl)-4,4'diaminobiphenyl

Database identifiers

CAS: 346-88-3
PubChem CID: 2736115
DTXSID: DTXSID10371137
EC Number: 692-874-0
Nikkaji: J1.340.752E

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 345

Physicochemical properties

Melting point: 180 · 180-181
Boiling point: 364.2 · 364.2±42.0 °C(Predicted)
Density: 1.415 · 1.415±0.06 g/cm3(Predicted)
pka: 1.75 · 1.75±0.13(Predicted)
form: solid
color: Off-white
CAS DataBase Reference: 346 · 346-88-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330
Hazard Codes: T,Xi
Risk Statements: 22 · 22-45-50/53
Safety Statements: 22 · 22-36/37/39-45
RIDADR: 2811 · 2811
Hazard Note: Toxic
HazardClass: IRRITANT-HARMFUL
HS Code: 2921599090 · 2921599090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

ridadr: 2811
hs_code: 2921599090
risk_code: 22-45-50/53
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T,Xi
hazard_note: Toxic
safety_code: 22-36/37/39-45
hazard_class: IRRITANT-HARMFUL
Hazard statements: H302-H315-H320-H335
Precautionary statements: P264-P270-P301+P312-P330

Chemistry & industry

Applications · 1 item

Uses3,3''-Bis(trifluoromethyl)benzidine (CAS# 346-88-3) can be used for optical materials due to its low thermal expansion coefficient, refractive index, dielectric constant, and good organic solvent solubility. It can also be used for electronic insulating film and organic LEDs.

Suppliers34 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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Compound notes

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