2-Chloro-4-iodobenzoic acid - CAS 145343-76-6

Catalog:	BB009928
Product Name:	2-Chloro-4-iodobenzoic acid
CAS:	145343-76-6
Synonyms:	2-chloro-4-iodobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-4-iodobenzoic acid
Description:	2-Chloro-4-iodobenzoic acid (CAS# 145343-76-6) is a useful research chemical.
Molecular Weight:	282.46
Molecular Formula:	C7H4ClIO2
Canonical SMILES:	C1=CC(=C(C=C1I)Cl)C(=O)O
InChI:	InChI=1S/C7H4ClIO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key:	KVFAMLOGLYILKM-UHFFFAOYSA-N
Boiling Point:	337.9 °C at 760 mmHg
Density:	2.077 g/cm³
MDL:	MFCD05863523
LogP:	2.64280

Publication Number	Title	Priority Date
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GHS Hazard Statement:	H301 (98.45%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (99.22%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H400 (98.45%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.89445
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	281.89445
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8