Methyl 4-amino-3-chlorobenzoate - CAS 84228-44-4

Name: Methyl 4-amino-3-chlorobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037158
Product Name:	Methyl 4-amino-3-chlorobenzoate
CAS:	84228-44-4
Synonyms:	methyl 4-amino-3-chlorobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-amino-3-chlorobenzoate
Description:	Methyl 4-amino-3-chlorobenzoate (CAS# 84228-44-4) is a useful research chemical.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1)N)Cl
InChI:	InChI=1S/C8H8ClNO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3
InChI Key:	WKVJBYKFGNVWLM-UHFFFAOYSA-N
Boiling Point:	321.6 °C at 760 mmHg
Melting Point:	107-111 °C
Purity:	95 %
Density:	1.311 g/cm³
Appearance:	Beige-brown crystals or crystalline powder
MDL:	MFCD01320686
LogP:	2.29000

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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
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[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)-

GHS Hazard Statement:	H302 (86.36%): 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

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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