3-Hydroxy-5-nitrobenzoic acid - CAS 78238-14-9

Catalog:	BB036132
Product Name:	3-Hydroxy-5-nitrobenzoic acid
CAS:	78238-14-9
Synonyms:	3-hydroxy-5-nitrobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-hydroxy-5-nitrobenzoic acid
Description:	3-Hydroxy-5-nitrobenzoic acid (CAS# 78238-14-9) is a useful research chemical.
Molecular Weight:	183.12
Molecular Formula:	C7H5NO5
Canonical SMILES:	C1=C(C=C(C=C1[N+](=O)[O-])O)C(=O)O
InChI:	InChI=1S/C7H5NO5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)
InChI Key:	ZVLLYIMPDTXFNC-UHFFFAOYSA-N
Boiling Point:	423.5 °C at 760 mmHg
Melting Point:	190-195 °C
Purity:	95 %
Density:	1.631 g/cm³
Appearance:	Solid
MDL:	MFCD01098212
LogP:	1.52180

Publication Number	Title	Priority Date
EP-3246706-A1	Method for specific cleavage of c(alpha)-c bond and side chain of protein and peptide, and method for determining amino acid sequence	20160516
JP-2017207312-A	CÎ±-C bond and side chain specific cleavage method of protein and peptide, and amino acid sequencing method	20160516
JP-6587976-B2	CÎ±-C bond and side chain specific cleavage method of protein and peptide, and amino acid sequencing method	20160516
US-10626141-B2	Method for specific cleavage of C alpha-C bond and side chain of protein and peptide, and method for determining amino acid sequence	20160516
US-2017327533-A1	METHOD FOR SPECIFIC CLEAVAGE OF C Alpha-C BOND AND SIDE CHAIN OF PROTEIN AND PEPTIDE, AND METHOD FOR DETERMINING AMINO ACID SEQUENCE	20160516

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Related Functional Groups

Nitrogen Compounds

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[2006278-12-0]
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[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[1354706-05-0]
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[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.01677226
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	183.01677226
Rotatable Bond Count:	1
Topological Polar Surface Area:	103 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1