4'-Chloroacetanilide

CAT: 0572-TRC-C363355-5GSize: 5 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-C363355-5GSize:5 g

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CAS Number

539-03-7

Synonyms

N-(4-Chlorophenyl)acetamide (4-Chloroacetanilide); N-(4-Chlorophenyl)acetamide; Paracetamol Imp. J (EP); 4-Chloroacetanilide; Acetaminophen USP Related Compound J; Acetaminophen USP RC J; SKF-8835; USP Acetaminophen Related Compound J; Ph Eur Paracetamol Impurity J; Acetaminophen Related Compound J; Paracetamol Impurity J

Hazard Statement

Harmful if swallowed

Purity

>95% (HPLC)

Smiles

CC(=O)Nc1ccc(Cl)cc1

Molecular Formula

C8 H8 Cl N O

Molecular Weight

169.61

InChI

InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)

Additionnal Information

IUPAC name: N-(4-chlorophenyl)acetamide

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

N-(4-Chlorophenyl)acetamide

4-chloroacetanilide is acetamide substituted on nitrogen by a para-chlorophenyl group. It is a member of acetamides and a member of monochlorobenzenes.

CAS Number	539-03-7
PubChem CID	10871
IUPAC Name	N-(4-chlorophenyl)acetamide
Molecular Formula	C8H8ClNO
Molecular Weight	169.61
XLogP	2.1
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	141

SMILES

CC(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)

InChIKey

GGUOCFNAWIODMF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 539-03-7

CID: 10871

Formula: C8H8ClNO

MW: 169.61

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	169.61
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	169.0294416
Monoisotopic Mass	169.0294416
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	141
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

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Catalog	Name
268332-01	4'-Chloroacetanilide
006053	4'-Chloroacetanilide-13C6
sc-277780	4'-Amino-2'-chloroacetanilide
OR1010884-01	3-Amino-4-Chloroacetanilide
sc-267838	4'-Bromo-2'-chloroacetanilide
sc-267839	4'-Bromo-3'-chloroacetanilide
sc-232166	3'-Amino-4'-chloroacetanilide
OR43589-01	4'-Acetamido-2'-chloroacetanilide
OR015905-01	4-Bromo-2-chloroacetanilide
OR4346-01	3'-Chloroacetanilide

4'-Chloroacetanilide

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