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  • Ethanone,1-(3-aminophenyl)
Name:Ethanone,1-(3-aminophenyl)
CAS No:99-03-6

PRODUCT DESCRIPTION

【Name】
Ethanone,1-(3-aminophenyl)-
【CAS Registry number】
99-03-6
【Synonyms】
Acetophenone,3'-amino- (8CI)
1-(3-Aminophenyl)ethanone
1-Acetyl-3-aminobenzene
3-Acetylaniline
3-Acetylphenylamine
3-Methylcarbonylaniline
NSC 7637
m-Acetylaniline
m-Aminoacetophenone
b-Aminoacetophenone
3-Aminoacetophenone
【EINECS(EC#)】
202-722-3
【Molecular Formula】
C8H9NO (Products with the same molecular formula)
【Molecular Weight】
135.16
【Inchi】
InChI=1/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3
【InChIKey】
CKQHAYFOPRIUOM-UHFFFAOYSA-N
【MOL File】
99-03-6.mol

Chemical and Physical Properties

【Appearance】
Brown flakes.
【Density】
1.215g/cm3
【Melting Point】
95-98℃
【Boiling Point】
289-290℃
【Refractive Index】
1.571
【Flash Point】
81.4°C
【Solubilities】
Slightly soluble
【Stability】
Stable under normal temperatures and pressures. Partly volatile in steam.
【HS Code】
29223900
【Storage temp】
Keep containers tightly closed. Store in a cool, dry area away from incompatible substances.
【Computed Properties】
Molecular Weight:135.16316 [g/mol]
Molecular Formula:C8H9NO
XLogP3:1.2
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:135.068414
MonoIsotopic Mass:135.068414
Topological Polar Surface Area:43.1
Heavy Atom Count:10
Formal Charge:0
Complexity:133
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 Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22
【Safety Statements 】
36/37-36-26
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】

Safety information of 3-Aminoacetophenone (99-03-6):
Hazard Codes Xn,Xi 
Risk Statements
22? Harmful if swallowed 
36/37/38? Irritating to eyes, respiratory system and skin 
Safety Statements? 
36/37? Wear suitable protective clothing and gloves 
26? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
WGK Germany 2 
RTECS  AM5800000 
Hazard Note? Irritant 
TSCA T 
HS Code  29223900

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