N-(2,6-Dimethylphenyl)chloroacetamide - CAS 1131-01-7

Name: N-(2,6-Dimethylphenyl)chloroacetamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003099
Product Name:	N-(2,6-Dimethylphenyl)chloroacetamide
CAS:	1131-01-7
Synonyms:	2-chloro-N-(2,6-dimethylphenyl)acetamide

Technical Data

IUPAC Name:	2-chloro-N-(2,6-dimethylphenyl)acetamide
Description:	N-(2,6-Dimethylphenyl)chloroacetamide represents a novel and promising pharmaceutical entity widely employed within the research of a formidable spectrum of ailments, including malignant neoplasms and microbial afflictions.
Molecular Weight:	197.66
Molecular Formula:	C10H12ClNO
Canonical SMILES:	CC1=C(C(=CC=C1)C)NC(=O)CCl
InChI:	InChI=1S/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChI Key:	FPQQSNUTBWFFLB-UHFFFAOYSA-N
Boiling Point:	316.8 °C at 760 mmHg
Melting Point:	148-150 °C
Purity:	>95%
Density:	1.187 g/cm³
Appearance:	White solid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00000926
LogP:	2.55370

GHS Hazard Statement:	H302 (16.07%): 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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PMID	Publication Date	Title	Journal
23186529	20121219	Biodegradation of butachlor by Rhodococcus sp. strain B1 and purification of its hydrolase (ChlH) responsible for N-dealkylation of chloroacetamide herbicides	Journal of agricultural and food chemistry
21417467	20110511	Biodegradation of chloroacetamide herbicides by Paracoccus sp. FLY-8 in vitro	Journal of agricultural and food chemistry
21201410	20080109	N-(2,6-Dimethyl-phen-yl)-2-methyl-acetamide	Acta crystallographica. Section E, Structure reports online
21200852	20071218	2-Chloro-N-(2,6-dimethyl-phen-yl)acetamide	Acta crystallographica. Section E, Structure reports online

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.0607417
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.0607417
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9