2-(Chloromethyl)-4-methylquinazoline

CAS Number: 109113-72-6

Molecular Formula: C10H9ClN2

Purity: 2-(Chloromethyl)-4-methylquinazoline 98% purity

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About 2-(Chloromethyl)-4-methylquinazoline

2-(Chloromethyl)-4-methylquinazoline (CAS 109113-72-6) is a pivotal building block in the API intermediates market, primarily utilized as a key precursor for the synthesis of Linagliptin and other complex quinazoline-based therapeutics requiring high purity fine chemicals (Pharma/API purity 99% | General Industry purit...

2-(Chloromethyl)-4-methylquinazoline Specifications

CAS Number

109113-72-6

Molecular Formula

C10H9ClN2

Molecular Weight

192.65 g/mol

IUPAC Name

2-(chloromethyl)-4-methylquinazoline

Canonical SMILES

CC1=NC(=NC2=CC=CC=C12)CCl

InChI Key

UHCUBOJGMLASBY-UHFFFAOYSA-N

InChI

InChI=1S/C10H9ClN2/c1-7-8-4-2-3-5-9(8)13-10(6-11)12-7/h2-5H,6H2,1H3

EINECS Number

476-280-7

MDL Number

MFCD09807547

HSN No

29335990

CAS Number

109113-72-6

Molecular Formula

C10H9ClN2

Molecular Weight

192.65 g/mol

IUPAC Name

2-(chloromethyl)-4-methylquinazoline

Canonical SMILES

CC1=NC(=NC2=CC=CC=C12)CCl

InChI Key

UHCUBOJGMLASBY-UHFFFAOYSA-N

InChI

InChI=1S/C10H9ClN2/c1-7-8-4-2-3-5-9(8)13-10(6-11)12-7/h2-5H,6H2,1H3

EINECS Number

476-280-7

MDL Number

MFCD09807547

HSN No

29335990

Molecular Weight

192.65 g/mol

Purity

2-(Chloromethyl)-4-methylquinazoline 98% purity

Melting Point

61.0-65.0 °C

Boiling Point

240°C at 760 mmHg

Freezing point

61-66°C

Flash Point

122.14ºC

Density

1.251 g/cm3

pKa

66e7cadac3811c23263efa1e

Precise Quality

109113-72-6

PSA

25.8 Å²

logP

1.9 - 2.677

Average mass

192.65 g/mol

Monoisotopic mass

192.0454260 Da

Molar mass

192.65 g/mol

Precautionary Statement Codes

P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P310+P330, P301+P317, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P304+P340+P310, P305+P351+P338, P305+P351+P338+P310, P305+P354+P338, P310, P317, P318, P321, P330, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501

Hazard Classes and Categories

Acute Tox. 4 (100%) Skin Sens. 1A (100%)

Pharmaceutical Intermediate

A building block used for the preparation of Linagliptin and its related substances, which are utilized as dipeptidyl peptidase-4 (DPP-4) inhibitors in the treatment of type 2 diabetes

Organic Synthesis Building Block

A versatile heterocyclic intermediate used in the development of novel therapeutic agents, particularly in cancer research for the synthesis of 4-anilinoquinazoline derivatives and other biologically active compounds

Agrochemical Intermediate

A functionalized quinazoline derivative explored in the formulation of specialized herbicides and pesticides to target specific plant pathways and improve crop yields

Analytical Standard

A high-purity chemical used as a reference material for identifying and quantifying impurities in pharmaceutical manufacturing and quality control processes.