Methyl 3-amino-5-chlorobenzoate, 98%

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

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CAS Number

21961-31-9

Formula

AUG 2023

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About this item

IUPAC name	methyl 3-amino-5-chlorobenzoate
inchi	InChI=1S/C8H8ClNO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,10H2,1H3
inchi key	ORKTXZHKYFWCRB-UHFFFAOYSA-N
molecular formula	C8H8ClNO2
synonyms	METHYL 3-AMINO-5-CHLOROBENZOATE 21961-31-9 MFCD11053764 Methyl3-Amino-5-chlorobenzoate Benzoic acid, 3-amino-5-chloro-, methyl ester

Computed Properties

Molecular Weight:	185.61 g/mol
XLogP3:	2.1
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	185.0243562 g/mol
Monoisotopic Mass:	185.0243562 g/mol
Topological Polar Surface Area:	52.3 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	174
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Documentation

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AB0431

Methyl 3-amino-5-chlorobenzoate, 98%

Product No: AB0431

About this item

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CHEMICAL AND PHYSICAL PROPERTIES

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Documentation

Certificate of Analysis

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Product No: AB0431

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?