Methyl 2-Amino-4-bromobenzoate - CAS 135484-83-2

Catalog:	BB008183
Product Name:	Methyl 2-Amino-4-bromobenzoate
CAS:	135484-83-2
Synonyms:	2-amino-4-bromobenzoic acid methyl ester; methyl 2-amino-4-bromobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-amino-4-bromobenzoate
Description:	Methyl 2-Amino-4-bromobenzoate (CAS# 135484-83-2) is a useful research chemical.
Molecular Weight:	230.06
Molecular Formula:	C8H8BrNO2
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)Br)N
InChI:	InChI=1S/C8H8BrNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3
InChI Key:	MMSODGJNFCCKAZ-UHFFFAOYSA-N
Boiling Point:	319.3 °C at 760 mmHg
Density:	1.578 g/cm³
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
MDL:	MFCD07783014
LogP:	2.39910

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WO-2021127404-A1	Tricyclic pyridones and pyrimidones	20191220

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (33.33%): 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:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.97384
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4