Methyl 4-Amino-2-chlorobenzoate - CAS 46004-37-9

Name: Methyl 4-Amino-2-chlorobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026051
Product Name:	Methyl 4-Amino-2-chlorobenzoate
CAS:	46004-37-9
Synonyms:	4-amino-2-chlorobenzoic acid methyl ester; methyl 4-amino-2-chlorobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 4-amino-2-chlorobenzoate
Description:	Methyl 4-Amino-2-chlorobenzoate (CAS# 46004-37-9) is used as a reagent to synthesize selective LXR agonists that increase HDL levels and reverse cholesterol transport in mice.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)N)Cl
InChI:	InChI=1S/C8H8ClNO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,10H2,1H3
InChI Key:	DSHBGNPOIBSIOQ-UHFFFAOYSA-N
Boiling Point:	334.207 °C at 760 mmHg
Density:	1.311 g/cm³
MDL:	MFCD03840484
LogP:	2.29000

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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
[87-88-7]C6H2Cl2O4
Chloranilic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide
[108397-75-7]C8H10N2O2
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0243562
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.0243562
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7