Basic information
- CAS
36809-26-4- Standard SMILES
Brc1ccc(N(c2ccccc2)c2ccccc2)cc1- InChIKey
SQTLUXJWUCHKMT-UHFFFAOYSA-N- Molecular formula
- C18H14BrN
- Average molar mass
- 324.2 g/mol
- Monoisotopic mass
- 323.03096155
Names & identifiers
- Preferred name
- 4-Bromotriphenylamine
- IUPAC
- 4-bromo-N,N-diphenylaniline
- English name
- 4-Bromotriphenylamine
- Molecular formula
- C18H14BrN
- Molecular weight
- 324.21
Names & synonyms
Show more names
Database identifiers
- CAS
36809-26-4- PubChem CID
- 642838
- DTXSID
DTXSID40349081- EC Number
- 628-532-4
- Nikkaji
- J1.502.673A
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 255
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 108 · 108-112 °C (lit.)
- Boiling point
- 185 °C · 185 °C / 2.5mmHg
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Toluene
- form
- powder to crystal
- pka
- -3.66 · -3.66±0.30(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C18H14BrN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
- InChIKey
- SQTLUXJWUCHKMT-UHFFFAOYSA-N
- SMILES
- C1(N(C2=CC=CC=C2)C2=CC=CC=C2)=CC=C(Br)C=C1
- CAS DataBase Reference
- 36809 · 36809-26-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H317-H319-H335-H413
- Precautionary statements
- 273 · P273-P280-P301+P312+P330-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38-43
- Safety Statements
- 26 · 26-36/37
- WGK Germany
- 3 · 3
- HS Code
- 29214200 · 29214200
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 4Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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.
Hazard information
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29214200
- risk_code
- 22-36/37/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H317-H319-H335-H413
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 4Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P273-P280-P301+P312+P330-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Description4-Bromotriphenylamine (BTPA) is a bromoaniline compound that can be used as a polymer monomer. Its copolymerisation with p-triphenyl and N-methyl-1-piperidone yields a series of poly(4-bromotriphenylamine-co-p-triphenylpiperidinium) (PBTTP-x) copolymers. The rigid and rotatable BTPA units exhibit a triangular pyramidal geometry, which both generates steric hindrance to suppress polymer chain entanglement and creates additional free volume. Furthermore, the introduction of the BTPA monomer enables efficient ion transport whilst protecting cationic groups from OH− attack via steric hindrance. PBTTP-x copolymers effectively enhance the performance of anion exchange membranes (AEMs)[2].
Uses4-bromotriphenylamine could be used as material to synthesize a novel type of Schiff base fluorescent probe molecule N′-((5-(4-(diphenylamino)phenyl)thiophen-2-yl)methylene)benzenesulfonohydrazide (BS). BS exhibited excellent solvatochromic effect and aggregation-induced emission enhancement and had rapid recognition, high selectivity and specificity for Hg2+; the detection limit was as low as 2.84×108M, and the response time was only 15 s[1].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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