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Methyl 3-chlorobenzoate - 98%, high purity , CAS No.2905-65-9

COA

Grade & Purity:

≥98%

Cas Number: 2905-65-9
Molecular Weight: 170.59
PubChem CID: 17946
PubChem SID: 488182425

In stock

Item Number

M192560

Grouped product items
SKU	Size	Availability	Price
M192560-1g	1g	3	$10.90
M192560-5g	5g	1	$38.90
M192560-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$70.90
M192560-25g	25g	2	$157.90
M192560-100g	100g	5	$567.90
M192560-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,555.90

Basic Description

Synonyms	AKOS008908780 \| 9M3K1L0149 \| GS-3376 \| NCGC00258565-01 \| m-Chlorobenzoic acid methyl ester \| METHYL-3-CHLOROBENZOATE \| AB00128 \| HSDB 5465 \| 3-Cl-C6H4-COOCH3 \| Q27272727 \| DTXCID507507 \| 3-(METHOXYCARBONYL)PHENYL CHLORIDE \| A819745 \| InChI=1/C8H7ClO2/c1-1
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	The (1+1) Resonance Enhanced Multiphoton Ionisation (REMPI) spectrum and the fluorescence excitation spectrum of methyl 3-chlorobenzoate has been measured in the supersonic free jet. Reaction of methyl 3-chlorobenzoate with lithium diisobutyl-t-butoxyaluminum hydride (LDBBA) has been investigated.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	3-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488182425
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182425
IUPAC Name	methyl 3-chlorobenzoate
INCHI	InChI=1S/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKey	XRDRKVPNHIWTBX-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=CC=C1)Cl
Isomeric SMILES	COC(=O)C1=CC(=CC=C1)Cl
WGK Germany	3
Molecular Weight	170.59
Reaxy-Rn	2045126
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045126&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
K2103217	Certificate of Analysis	Aug 22, 2024	M192560
K2103218	Certificate of Analysis	Aug 22, 2024	M192560
K2103220	Certificate of Analysis	Aug 22, 2024	M192560
K2103251	Certificate of Analysis	Aug 22, 2024	M192560
K2103255	Certificate of Analysis	Aug 22, 2024	M192560

Chemical and Physical Properties

Refractive Index	n20/D 1.531 (lit.)
Flash Point(°F)	219.2 °F
Flash Point(°C)	104 °C
Boil Point(°C)	99-101 °C/12 mmHg (lit.)
Melt Point(°C)	21 °C (lit.)
Molecular Weight	170.590 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	170.013 Da
Monoisotopic Mass	170.013 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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