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  • 2-Phenylacetamide
Name:2-Phenylacetamide
CAS No:103-81-1

PRODUCT DESCRIPTION

【Name】
2-Phenylacetamide
【CAS Registry number】
103-81-1
【Synonyms】
Acetamide,2-phenyl- (6CI,8CI)
Benzenediacetamide (7CI)
Benzeneacetamide
NSC 1877
Phenacetamide
Phenyl-b-acetylamine
Phenylacetic acid amide
a-Phenylacetamide
a-Toluamide
a-Toluimidic acid
【EINECS(EC#)】
203-147-0
【Molecular Formula】
C8H9NO (Products with the same molecular formula)
【Molecular Weight】
135.17
【Inchi】
InChI=1/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
【InChIKey】
LSBDFXRDZJMBSC-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C(C=C1)CC(=O)N
【MOL File】
103-81-1.mol

Chemical and Physical Properties

【Appearance】
White krystalline powder.
【Density】
1.098 g/cm3
【Melting Point】
157-158℃
【Boiling Point】
280-290℃ (dec.)
【Vapour】
0.000537mmHg at 25°C
【Refractive Index】
1.552
【Flash Point】
142.6 °C
【Computed Properties】
Molecular Weight:135.16316 [g/mol]
Molecular Formula:C8H9NO
XLogP3:0.5
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:135.068414
MonoIsotopic Mass:135.068414
Topological Polar Surface Area:43.1
Heavy Atom Count:10
Formal Charge:0
Complexity:116
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
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:15

Safety and Handling

【Hazard Codes】
Xi
【Safety Statements 】
S22;S24/25
【HazardClass】
IRRITANT
【Hazard Note】
Irritant
【Safety】

Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: IrritantXi 
Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes. 
RTECS: AC7705000 
Hazard Note: Irritant

【PackingGroup 】
Z01
【Transport】

【Specification】

  2-Phenylacetamide , its cas register number is 103-81-1. It also can be called Phenyl-beta-acetylamine ; Phenylacetic acid amide ; alpha-Phenylacetamide ; alpha-Toluamide ; alpha-Toluimidic acid .

【Report】

Reported in EPA TSCA Inventory.

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