HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2-chloro-N-(4-ethylphenyl)acetamide

HCID 720962
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
20172-36-5
Standard SMILES
CCc1ccc(NC(=O)CCl)cc1
InChIKey
MNODWERQWKSALS-UHFFFAOYSA-N
Molecular formula
C10H12ClNO
Average molar mass
197.66 g/mol
Monoisotopic mass
197.06074168

Names & identifiers

Preferred name
2-chloro-N-(4-ethylphenyl)acetamide
IUPAC
2-chloro-N-(4-ethylphenyl)acetamide
English name
2-Chloro-N-(4-ethylphenyl)acetamide
Molecular formula
C10H12ClNO
Molecular weight
197.66

Names & synonyms

2-chloro-N-(4-ethylphenyl)acetamide20172-36-5DTXSID40352191RefChem:259358DTXCID103032562-Chloro-N-(4-ethyl-phenyl)-acetamideMFCD00028177Acetamide,2-chloro-N-(4-ethylphenyl)-N-(Chloroacetyl)4-ethylanilineN-chloroacetyl-4-ethylanilineSCHEMBL1031451MNODWERQWKSALS-UHFFFAOYSA-N
Show more names
AKOS B015637AKOS BBS-00004015TIMTEC-BB SBB000368CHEMBRDG-BB 3015637ART-CHEM-BB B0156372-chloro-N-(4-ethylphenyl)ethanamideAcetamide, 2-chloro-N-(4-ethylphenyl)-
ALBB-002268SBB000368STK1159442-CHLORO-4'-ETHYLACETANILIDEAKOS000265702JS-2985NCGC00661557-01ST012535

Database identifiers

CAS
20172-36-5
PubChem CID
720962
DTXSID
DTXSID40352191
Nikkaji
J2.696.521G

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
164

Physicochemical properties

Melting point
141 · 141-142 °C
Boiling point
357.3 · 357.3±35.0 °C(Predicted)
Density
1.185 · 1.185±0.06 g/cm3(Predicted)
pka
12.9 · 12.90±0.70(Predicted)
Hazard Codes
Xi
HazardClass
IRRITANT

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hazard_code
Xi
hazard_class
IRRITANT

Chemistry & industry

Suppliers13 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工(江苏)有限公司0512-66387035 18662433356 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
北京建强伟业科技有限公司(FUSION弗珍试剂品牌)0531-88924771 15614660963 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

4 records
New reaction record
HRID 285961 reaction equation
HRID 285961As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 603350 reaction equation
HRID 603350As reactantuspto-grants-2011_03
HRID 603351 reaction equation
HRID 603351As reactantuspto-grants-2011_03
HRID 2123172 reaction equation
HRID 2123172As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes