2-Iodo-4-methylaniline - CAS 29289-13-2

Catalog:	BB020166
Product Name:	2-Iodo-4-methylaniline
CAS:	29289-13-2
Synonyms:	2-iodo-4-methylaniline; 2-iodo-4-methylaniline

Technical Data

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Computed Properties

IUPAC Name:	2-iodo-4-methylaniline
Description:	2-Iodo-4-methylaniline (CAS# 29289-13-2) is a useful research chemical.
Molecular Weight:	233.05
Molecular Formula:	C7H8IN
Canonical SMILES:	CC1=CC(=C(C=C1)N)I
InChI:	InChI=1S/C7H8IN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChI Key:	AJTUKWIQLKKRHE-UHFFFAOYSA-N
Boiling Point:	289.4 °C at 760 mmHg
Density:	1.791 g/cm³
Appearance:	Solid
MDL:	MFCD03407391
LogP:	2.76300

Publication Number	Title	Priority Date
CN-111892553-A	Method for synthesizing ammonium acetate mediated benzothiazole compound	20200805
CN-110804008-A	1, 3-disubstituted indoline derivative and preparation method thereof	20191127
WO-2020101314-A1	Heterocyclic compound and organic light emitting diode comprising same	20181112
WO-2020101316-A1	Heterocyclic compound and organic light emitting device comprising same	20181112
US-2021147398-A1	Novel lxr modulators with bicyclic core moiety	20180628

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.97015
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	232.97015
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2