ChemicalBook--->CAS DataBase List--->122-85-0

122-85-0

122-85-0 Structure

122-85-0 Structure
IdentificationMore
[Name]

4-Acetamidobenzaldehyde
[CAS]

122-85-0
[Synonyms]

4-ACETAMIDOBENZALDEHYDE
4-ACETAMINOBENZALDEHYDE
4-ACETYLAMINOBENZALDEHYDE
4'-FORMYLACETANILIDE
4-FORMYLACETANILIDE
AKOS B004036
N1-(4-FORMYLPHENYL)ACETAMIDE
N-(4-FORMYL-PHENYL)-ACETAMIDE
P-ACETAMIDOBENZALDEHYDE
P-ACETAMINOBENZALDEHYDE
P-ACETYLAMINOBENZALDEHYDE
p-Formylacetanilide
4-(Acetalamino)benzaldehyde
4-acetoaminobenzaldehyde
4-Formylacetoanilide
Acetamide, N-(4-formylphenyl)-
Acetamido benzaldehyde
Acetanilide, 4'-formyl-
Benzaldehyde, 4-acetamido-
Micotiazone
[EINECS(EC#)]

204-579-2
[Molecular Formula]

C9H9NO2
[MDL Number]

MFCD00003380
[Molecular Weight]

163.17
[MOL File]

122-85-0.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO YELLOW CRYSTALLINE POWDER
[Melting point ]

148-153 °C (lit.)
[Boiling point ]

290.25°C (rough estimate)
[density ]

1.2021 (rough estimate)
[refractive index ]

1.5300 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Crystalline Powder
[pka]

14?+-.0.70(Predicted)
[color ]

White to yellow
[Water Solubility ]

3.247g/L(25 ºC)
[Sensitive ]

Air Sensitive
[InChI]

InChI=1S/C9H9NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-6H,1H3,(H,10,12)
[InChIKey]

SKLUWKYNZNXSLX-UHFFFAOYSA-N
[SMILES]

C(NC1=CC=C(C=O)C=C1)(=O)C
[CAS DataBase Reference]

122-85-0(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Acetomidobenzaldehyde(122-85-0)
[EPA Substance Registry System]

122-85-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P271-P261-P280
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/22:Harmful by inhalation and if swallowed .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29242995
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic acid-->Sodium sulfide-->4-Aminobenzaldehyde
[Preparation Products]

THIACETAZONE-->2-(4-Acetamidobenzylidene)malononitrile-->4-ACETAMIDOBENZYL ALCOHOL-->4'-(4-AMINOPHENYL)-2,2':6',2''-TERPYRIDINE-->5-(4-ACETAMIDOPHENYL)DIPYRROMETHANE (UNDER ARGON)-->Propanedinitrile, 2-[2-[(1E)-2-(4-aminophenyl)ethenyl]-4H-1-benzopyran-4-ylidene]--->N-{4-[(E)-(Hydroxyimino)methyl]phenyl}acetamide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

p-Acetylaminobenzaldehyde(122-85-0).msds
Hazard InformationBack Directory
[Chemical Properties]

light yellow crystalline powder
[Uses]

4-Acetamidobenzaldehyde is used in pharmaceutical production and is also a raw material for other organic synthesis.
[Definition]

ChEBI: 4-Acetamidobenzaldehyde is a member of acetamides and an anilide.
[Purification Methods]

Recrystallise it from water. The 4-nitrophenylhydrazone, m 264-265o, crystallises as orange needles from EtOH [Hodgson & Beard J Chem Soc 21 1927, Beilstein 14 H 38, 14 II 25, 14 III 75, 14 IV 71.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Acetamidobenzaldehyde(122-85-0)MS
4-Acetamidobenzaldehyde(122-85-0)1HNMR
4-Acetamidobenzaldehyde(122-85-0)13CNMR
4-Acetamidobenzaldehyde(122-85-0)IR1
4-Acetamidobenzaldehyde(122-85-0)IR2
4-Acetamidobenzaldehyde(122-85-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Acetamidobenzaldehyde, 97%(122-85-0)
[Alfa Aesar]

4-Acetamidobenzaldehyde, 98%(122-85-0)
[Sigma Aldrich]

122-85-0(sigmaaldrich)
[TCI AMERICA]

4-Acetamidobenzaldehyde,>98.0%(GC)(122-85-0)
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