Methyl 3-Nitro-1-naphthoate - CAS 13772-63-9

Name: Methyl 3-Nitro-1-naphthoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008637
Product Name:	Methyl 3-Nitro-1-naphthoate
CAS:	13772-63-9
Synonyms:	3-nitro-1-naphthalenecarboxylic acid methyl ester; methyl 3-nitronaphthalene-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-nitronaphthalene-1-carboxylate
Description:	Methyl 3-Nitro-1-naphthoate (CAS# 13772-63-9) is a useful research chemical.
Molecular Weight:	231.20
Molecular Formula:	C12H9NO4
Canonical SMILES:	COC(=O)C1=CC(=CC2=CC=CC=C21)[N+](=O)[O-]
InChI:	InChI=1S/C12H9NO4/c1-17-12(14)11-7-9(13(15)16)6-8-4-2-3-5-10(8)11/h2-7H,1H3
InChI Key:	QFUDSCNJHFVWIB-UHFFFAOYSA-N
Boiling Point:	391.9 °C at 760 mmHg
Density:	1.334 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	3.05780

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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

Publication Number	Title	Priority Date
AU-2007238771-A1	Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators	20060414
AU-2007238771-B2	Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators	20060414
AU-2007238804-A1	Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators	20060414
BR-PI0709972-A2	compound, pharmaceutical composition, and use of a compound	20060414
CA-2649403-C	Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators	20060414

Complexity:	312
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.05315777
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.05315777
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9