Methyl 2-Bromo-6-chlorobenzoate - CAS 685892-23-3

Catalog:	BB033590
Product Name:	Methyl 2-Bromo-6-chlorobenzoate
CAS:	685892-23-3
Synonyms:	2-bromo-6-chlorobenzoic acid methyl ester; methyl 2-bromo-6-chlorobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-bromo-6-chlorobenzoate
Description:	Methyl 2-Bromo-6-chlorobenzoate (CAS# 685892-23-3) is a useful research chemical.
Molecular Weight:	249.49
Molecular Formula:	C8H6BrClO2
Canonical SMILES:	COC(=O)C1=C(C=CC=C1Br)Cl
InChI:	InChI=1S/C8H6BrClO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChI Key:	XSNZTSBNXMQBRI-UHFFFAOYSA-N
MDL:	MFCD03789160
LogP:	2.88910

Publication Number	Title	Priority Date
CN-112159326-A	Compound, luminescent layer dye material and organic electroluminescent device	20200921
CA-3085255-A1	Eif4e-inhibiting compounds and methods	20190702
WO-2021003157-A1	Eif4e-inhibiting 4-oxo-3,4-dihydropyrido[3,4-d]pyrimidine compounds	20190702
KR-20200076814-A	Organic compounds and organic electro luminescence device comprising the same	20181219
KR-20190087837-A	Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof	20180117

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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:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.92397
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.92397
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2