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Methyl 4-Amino-2,3-difluoro-5-nitrobenzoate

Methyl 4-Amino-2,3-difluoro-5-nitrobenzoate - CAS 284030-58-6

Catalog:	BB019842
Product Name:	Methyl 4-Amino-2,3-difluoro-5-nitrobenzoate
CAS:	284030-58-6
Synonyms:	4-amino-2,3-difluoro-5-nitrobenzoic acid methyl ester; methyl 4-amino-2,3-difluoro-5-nitrobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-amino-2,3-difluoro-5-nitrobenzoate
Description:	Methyl 4-Amino-2,3-difluoro-5-nitrobenzoate (CAS# 284030-58-6) is a useful research chemical.
Molecular Weight:	232.14
Molecular Formula:	C8H6F2N2O4
Canonical SMILES:	COC(=O)C1=CC(=C(C(=C1F)F)N)[N+](=O)[O-]
InChI:	InChI=1S/C8H6F2N2O4/c1-16-8(13)3-2-4(12(14)15)7(11)6(10)5(3)9/h2H,11H2,1H3
InChI Key:	HOJFIOHGPQOQBF-UHFFFAOYSA-N
Boiling Point:	402 °C at 760 mmHg
Density:	1.548 g/cm³
LogP:	2.34620

Publication Number	Title	Priority Date
WO-2020212832-A1	Process of preparation of benzimidazole compounds	20190416
AU-2013235596-A1	Combination therapy of a MEK inhibitor and IGF1R inhibitor	20120320
AU-2013235596-B2	Combination therapy of a MEK inhibitor and IGF1R inhibitor	20120320
AU-2013235596-B9	Combination therapy of a MEK inhibitor and IGF1R inhibitor	20120320
CA-2868000-A1	Pharmaceutical combination comprising a mek inhibitor compound and an a nti-igfir antibody for treating cancer	20120320

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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:	296
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.029563
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	232.029563
Rotatable Bond Count:	2
Topological Polar Surface Area:	98.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7