3-Bromo-1-naphthoic Acid - CAS 16726-66-2

Name: 3-Bromo-1-naphthoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012371
Product Name:	3-Bromo-1-naphthoic Acid
CAS:	16726-66-2
Synonyms:	3-bromo-1-naphthalenecarboxylic acid; 3-bromonaphthalene-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromonaphthalene-1-carboxylic acid
Description:	3-Bromo-1-naphthoic Acid (CAS# 16726-66-2) is used in the preparation of a potent cholecystokinin (CCK) 1R receptor agonist used in the modulation of the gastrointestinal system.
Molecular Weight:	251.08
Molecular Formula:	C11H7BrO2
Canonical SMILES:	C1=CC=C2C(=C1)C=C(C=C2C(=O)O)Br
InChI:	InChI=1S/C11H7BrO2/c12-8-5-7-3-1-2-4-9(7)10(6-8)11(13)14/h1-6H,(H,13,14)
InChI Key:	SBGVNBGHCCLMRR-UHFFFAOYSA-N
Boiling Point:	416.262 °C at 760 mmHg
Density:	1.649 g/cm³
Appearance:	Solid
LogP:	3.30050

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[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
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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
CN-112194670-A	Organic compound and organic electroluminescent device using same	20200918
AU-2015244698-B2	Cyclopropanamine compound and use thereof	20140411
EP-3129369-A1	Cyclopropanamine compound and use thereof	20140411
TW-201625540-A	Cyclopropylamine compounds and uses thereof	20140411
TW-I669291-B	Cyclopropylamine compounds and uses thereof	20140411

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.96294
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	249.96294
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8