2-Iodo-1,4-phenylenediamine - CAS 69951-01-5

Catalog:	BB034022
Product Name:	2-Iodo-1,4-phenylenediamine
CAS:	69951-01-5
Synonyms:	2-iodobenzene-1,4-diamine; 2-iodobenzene-1,4-diamine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-iodobenzene-1,4-diamine
Description:	2-Iodo-1,4-phenylenediamine (CAS# 69951-01-5) is a useful research chemical.
Molecular Weight:	234.04
Molecular Formula:	C6H7IN2
Canonical SMILES:	C1=CC(=C(C=C1N)I)N
InChI:	InChI=1S/C6H7IN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2
InChI Key:	CAAOWHHLKPUWHW-UHFFFAOYSA-N
Boiling Point:	342.3 °C at 760 mmHg
Density:	2.016 g/cm³
MDL:	MFCD04971329
LogP:	2.61800

Publication Number	Title	Priority Date
CN-113045755-A	Alignment film material, liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element	20210319
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CN-112225675-B	Arylamine compound, liquid crystal aligning agent prepared from arylamine compound, liquid crystal aligning film and liquid crystal display element	20200922
CN-112301443-A	Three-stage heat setting method of heterocyclic aramid fiber	20190801

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Complexity:	97.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.9654
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	233.9654
Rotatable Bond Count:	0
Topological Polar Surface Area:	52
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2