2-Iodo-5-methylaniline - CAS 13194-69-9

Catalog:	BB007520
Product Name:	2-Iodo-5-methylaniline
CAS:	13194-69-9
Synonyms:	2-iodo-5-methylaniline; 2-iodo-5-methylaniline

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2-iodo-5-methylaniline
Description:	2-Iodo-5-methylaniline (CAS# 13194-69-9) is a useful research chemical.
Molecular Weight:	233.05
Molecular Formula:	C7H8IN
Canonical SMILES:	CC1=CC(=C(C=C1)I)N
InChI:	InChI=1S/C7H8IN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChI Key:	KXPBTNCFONSVIA-UHFFFAOYSA-N
Boiling Point:	266.5 °C at 760 mmHg
Density:	1.791 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD00833395
LogP:	2.76300

Publication Number	Title	Priority Date
CN-112239431-A	Method for preparing 2-benzothiazole substituted aniline compound by catalysis of copper compound	20201112
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
CN-110845439-A	Method for synthesizing 2-substituted benzothiazole by one-pot method	20191126
CN-110204489-A	Use the safe synthetic method of the carbostyril compound in solid carbonyl source	20190709

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GHS Hazard Statement:	H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P310, P305+P351+P338, P310, P321, P330, P391, 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:	2.1