2,5-Dichloro-1,4-benzenediamine
Product Information
Molecular Formula
C6H6Cl2N2
Molecular Weight
177.03
Description
2,5-Dichloro-1,4-benzonediamine is a complex medicinal molecule that aids in the synthesis of alkylating agents.
Synonyms
BUTTPARK 100\01-20; AURORA KA-7368; 2,5-DICHLORO-4-PHENYLENEDIAMINE; 2,5-dichlorobenzene-1,4-diamine; 2.5-DICHLORO-1.4-BENZENEDIAMINE; 2,5-DICHLORO-1,4-PHENYLENEDIAMINE; 2,5 DICHLORO PPD; 2,5-DICHLORO-P-PHENYLENEDIAMINE
IUPAC Name
2,5-dichlorobenzene-1,4-diamine
SMILES
C1=C(C(=CC(=C1Cl)N)Cl)N
InChI
InChI=1S/C6H6Cl2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2
InChI Key
QAYVHDDEMLNVMO-UHFFFAOYSA-N
Boiling Point
291.88°C (rough estimate)
Melting Point
164-166 °C (dec.)(lit.)
Purity
>98.0%(GC)(T)
Density
1.501g/cm3
Solubility
SLIGHTLY SOLUBLE IN WATER AND ALCOHOL
Appearance
light brown to pinkish-grey powder
Storage
2-8°C
Refractive Index
1.6400 (estimate)
Safety Information
Hazards
H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Computed Properties
XLogP3
2.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
175.9908036 g/mol
Monoisotopic Mass
175.9908036 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
106
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 |
|---|---|---|
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| CN-112962165-A | Spandex fiber with reversible three-shape memory effect and preparation method and application thereof | 2021-01-21 |
| CN-112663168-A | Spandex fiber with reversible shape memory effect and preparation method and application thereof | 2020-12-22 |
| JP-2022002304-A | Laminates, curable resin compositions, methods for manufacturing laminates, semiconductor devices and image pickup devices | 2020-06-22 |
| WO-2021255698-A1 | Heterocyclic compound and an organic electroluminescence device comprising the heterocyclic compound | 2020-06-19 |
| CN-111775502-A | Method for preparing aramid honeycomb by direct molding | 2020-06-18 |
| CN-111775502-B | Method for preparing aramid honeycomb by direct molding | 2020-06-18 |
| CN-113668089-A | Preparation method of aromatic polyamide film-shaped fibrid | 2020-05-13 |
| CN-113668091-A | High-strength high-elongation heterocyclic aromatic polyamide fiber and preparation process thereof | 2020-05-13 |
| WO-2021225163-A1 | Adhesive composition, adhesive tape, and electronic component processing method | 2020-05-08 |
