4-Iodo-3-methylaniline - CAS 4949-69-3

Catalog:	BB026716
Product Name:	4-Iodo-3-methylaniline
CAS:	4949-69-3
Synonyms:	4-iodo-3-methylaniline; 4-iodo-3-methylaniline

Technical Data

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Computed Properties

IUPAC Name:	4-iodo-3-methylaniline
Description:	4-Iodo-3-methylaniline (CAS# 4949-69-3) is a useful research chemical.
Molecular Weight:	233.05
Molecular Formula:	C7H8IN
Canonical SMILES:	CC1=C(C=CC(=C1)N)I
InChI:	InChI=1S/C7H8IN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
InChI Key:	UISBOJCPTKUBIC-UHFFFAOYSA-N
MDL:	MFCD01569451
LogP:	2.76300

Publication Number	Title	Priority Date
KR-20210063058-A	Nitrogen heteroaromatic containing azobenzene compound and composition for green hologram recording comprising thereof	20191122
KR-20210063063-A	Nitrogen heteroaromatic containing azobenzene compound and composition for blue hologram recording comprising thereof	20191122
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CN-110699091-A	Liquid crystal composition with high dielectric constant and low consumption and application thereof	20191031
CN-110746981-A	Liquid crystal composition and application thereof	20191031

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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:	2.3