2,6-Dibromo-1,4-phenylenediamine
Product Information
Molecular Formula
C6H6Br2N2
Molecular Weight
265.94
Description
2,6-Dibromo-1,4-phenylenediamine is a chemical compound that plays a pivotal role in the biomedical sector. It is a primary ingredient in manufacturing drugs and therapies for treating cancer due to its cytotoxic properties, specifically halting the growth of cancer cells.
Synonyms
2,5-Diamino-1,3-dibromobenzene
IUPAC Name
2,6-dibromobenzene-1,4-diamine
SMILES
C1=C(C=C(C(=C1Br)N)Br)N
InChI
InChI=1S/C6H6Br2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2
InChI Key
NIXNGYGWQMXMCA-UHFFFAOYSA-N
Boiling Point
332.5±37.0 °C(Predicted)
Melting Point
136.0 to 140.0 °C
Purity
>98.0%(GC)(T)
Density
2.104±0.06 g/cm3(Predicted)
Appearance
Light yellow to Brown powder to crystal
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
1.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
265.88772 g/mol
Monoisotopic Mass
263.88977 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
108
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113201804-A | Fiber and preparation method thereof | 2021-05-21 |
| CN-112301443-A | Three-stage heat setting method of heterocyclic aramid fiber | 2019-08-01 |
| WO-2020066218-A1 | Binder for negative electrode | 2018-09-25 |
| JP-2020027791-A | Negative electrode, method for producing negative electrode, and binder for electrode | 2018-08-10 |
| WO-2020031596-A1 | Negative electrode, method for producing negative electrode, and binder for electrode | 2018-08-10 |
| WO-2020031597-A1 | Method for producing negative electrode, and binder for electrode | 2018-08-10 |
| CN-112640166-A | Negative electrode, method for producing negative electrode, and binder for electrode | 2018-08-10 |
| US-2021280861-A1 | Negative electrode and method for producing negative electrode, and electrode binding agent | 2018-08-10 |
| JP-2019064981-A | Compound, and luminescent compound | 2017-10-04 |
| JP-6965083-B2 | Compounds and luminescent compounds | 2017-10-04 |
