4-Chloro-2-iodotoluene - CAS 33184-48-4

Catalog:	BB021595
Product Name:	4-Chloro-2-iodotoluene
CAS:	33184-48-4
Synonyms:	4-chloro-2-iodo-1-methylbenzene; 4-chloro-2-iodo-1-methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-2-iodo-1-methylbenzene
Description:	4-Chloro-2-iodotoluene (CAS# 33184-48-4) is a useful research chemical.
Molecular Weight:	252.48
Molecular Formula:	C7H6ClI
Canonical SMILES:	CC1=C(C=C(C=C1)Cl)I
InChI:	InChI=1S/C7H6ClI/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChI Key:	ZIOGCIPQDRCAKY-UHFFFAOYSA-N
Boiling Point:	245.2 °C at 760 mmHg
Density:	1.806 g/cm³
MDL:	MFCD00060661
LogP:	3.25300

Publication Number	Title	Priority Date
US-2021186939-A1	Mdm2 inhibitor and a platinum compound for cancer treatment	20191219
WO-2020259471-A1	N-substituted oseltamivir derivatives with antimicrobial activity	20190624
WO-2017170765-A1	Novel nitrogen-containing heterocyclic compound	20160330
EP-3429355-B1	Substituted sulfonylamide for combating animal pests	20160315
WO-2017157735-A1	Substituted sulfonyl amides for controlling animal pests	20160315

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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:	251.92028
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	251.92028
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1