Basic information
- CAS
74661-62-4- Standard SMILES
Brc1ccc(C=Nc2ccc(N=Cc3ccc(Br)cc3)cc2)cc1- InChIKey
ABIMDDIMIIGMLZ-UHFFFAOYSA-N- Molecular formula
- C20H14Br2N2
- Average molar mass
- 442.1 g/mol
- Monoisotopic mass
- 439.95237
Names & identifiers
- Preferred name
- N,N'-Bis(4-bromobenzylidene)-1,4-phenylenediamine
- IUPAC
- 1-(4-bromophenyl)-N-[4-[(4-bromophenyl)methylideneamino]phenyl]methanimine
- English name
- N,N'-Bis(4-bromobenzylidene)-1,4-phenylenediamine
- Molecular formula
- C20H14Br2N2
- Molecular weight
- 442.15
Names & synonyms
N,N'-BIS(4-BROMOBENZYLIDENE)-1,4-PHENYLENEDIAMINERefChem:82178774661-62-4653-628-8SCHEMBL2454215SCHEMBL2454217AKOS0244301231,4-Benzenediamine, N1,N4-bis[(4-bromophenyl)methylene]-
Database identifiers
- CAS
74661-62-4- PubChem CID
- 4465697
- EC Number
- 653-628-8
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 539.1 · 539.1±45.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 4.2 · 4.20±0.50(Predicted)
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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