4-Bromodiphenylamine - CAS 54446-36-5
Catalog: |
BB028663 |
Product Name: |
4-Bromodiphenylamine |
CAS: |
54446-36-5 |
Synonyms: |
4-bromo-N-phenylaniline |
IUPAC Name: | 4-bromo-N-phenylaniline |
Description: | 4-Bromodiphenylamine (CAS# 54446-36-5) is a useful research chemical. |
Molecular Weight: | 248.12 |
Molecular Formula: | C12H10BrN |
Canonical SMILES: | C1=CC=C(C=C1)NC2=CC=C(C=C2)Br |
InChI: | InChI=1S/C12H10BrN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H |
InChI Key: | CCIVUDMVXNBUCY-UHFFFAOYSA-N |
Boiling Point: | 423.1 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.16 g/cm3 |
MDL: | MFCD07779504 |
LogP: | 4.26570 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-20210031670-A | Organic light emitting device | 20210312 |
CN-112979626-A | Compound for organic luminescence and application thereof | 20201217 |
CN-112174874-A | Organic compound and organic photoelectric element using the same | 20201027 |
CN-112174875-A | Hole transport compound, preparation method thereof and light emitting device | 20201027 |
KR-102210267-B1 | An electroluminescent compound and an electroluminescent device comprising the same | 20200526 |
PMID | Publication Date | Title | Journal |
21754236 | 20110401 | 4-Bromo-N-phenyl-aniline | Acta crystallographica. Section E, Structure reports online |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.99966 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.99966 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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