ChemicalBook--->CAS DataBase List--->621-42-1

621-42-1

621-42-1 Structure

621-42-1 Structure
IdentificationMore
[Name]

3-ACETAMIDOPHENOL
[CAS]

621-42-1
[Synonyms]

3-ACETAMIDOPHENOL
3-ACETAMINOPHENOL
3'-HYDROXYACETANILIDE
3-HYDROXYACETANILIDE
ACETAMIDOPHENOL-3
M-ACETAMIDOPHENOL
M-ACETAMINOPHENOL
M-HYDROXYACETANILIDE
N-(3-HYDROXYPHENYL)ACETAMIDE
3-(Acetylamino)-1-hydroxybenzene
3-(Acetylamino)phenol
3’-hydroxy-acetanilid
3-Hydroxy-4-trimethylammoniobutanoate3'-hydroxyacetanilide
Acetamide, N-(3-hydroxyphenyl)-
Acetanilide, 3'-hydroxy-
BS 479
BS 749
bs479
m-(Acetylamino)phenol
metacetamol
[EINECS(EC#)]

210-687-0
[Molecular Formula]

C8H9NO2
[MDL Number]

MFCD00002263
[Molecular Weight]

151.16
[MOL File]

621-42-1.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to tan or light grey crystals,
[Melting point ]

145-148 °C(lit.)
[Boiling point ]

273.17°C (rough estimate)
[density ]

1.249
[refractive index ]

1.5810 (estimate)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol
[form ]

Crystals, Crystalline Powder or Needles
[pka]

9.50±0.10(Predicted)
[color ]

Off-white to tan or light gray
[PH]

6-7 (H2O)(saturated solution)
[BRN ]

907998
[CAS DataBase Reference]

621-42-1(CAS DataBase Reference)
[EPA Substance Registry System]

3'-Hydroxyacetanilide (621-42-1)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

2811
[WGK Germany ]

2
[RTECS ]

AE4100000
[F ]

1-8
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29242990
[Toxicity]

LD50 intraperitoneal in mouse: 1025mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-acetaMidophenyl acetate-->3-Hydroxyphenylacetylene-->Acetonitrile-->3-Aminophenol-->N1-(3-Aminophenyl)acetamide-->3'-Hydroxyacetophenone-->Acetic anhydride-->Acetic acid
[Preparation Products]

3-Ethoxyaniline-->2-AMINO-4-METHOXY-BENZOIC ACID-->3-Amino-4-nitrophenol-->5-AMino-2,4-di-tert-butylphenol-->N-(3-Hydroxy-4-nitrosophenyl)acetamide
Hazard InformationBack Directory
[General Description]

Light gray solid.
[Reactivity Profile]

Phenols do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has Ka = 1.3 x 10^[-10]). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. Nitrated phenols often explode when heated. Many of them form metal salts that tend toward detonation by rather mild shock. Flammable gases are formed by the reaction of organic amides with strong reducing agents. Amides are very weak bases (weaker than water). Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
[Air & Water Reactions]

Water insoluble.
[Fire Hazard]

Flash point data for this compound are not available. N-ACETYL-M-AMINOPHENOL is probably combustible.
[Chemical Properties]

off-white to tan or light grey crystals,
[Uses]

analgesic
[Definition]

ChEBI: A derivative of phenol which has an acetamido substituent located meta to the phenolic -OH group. It is a non-toxic regioisomer of paracetamol with analgesic properties, but has never been marketed as a drug.
[storage]

-20°C
[Purification Methods]

Recrystallise the phenol from water. The 3,5-dinitrobenzamide complex gives orange-yellow crystals from hot H2O and has m 212o. [Beilstein 13 H 415, 13 I 132, 13 II 213, 13 III 950, 13 IV 977.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-ACETAMIDOPHENOL(621-42-1)MS
3-ACETAMIDOPHENOL(621-42-1)1HNMR
3-ACETAMIDOPHENOL(621-42-1)IR1
3-ACETAMIDOPHENOL(621-42-1)IR2
3-ACETAMIDOPHENOL(621-42-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Acetamidophenol, 99+%(621-42-1)
[Alfa Aesar]

3-Acetamidophenol, 99%(621-42-1)
[Sigma Aldrich]

621-42-1(sigmaaldrich)
[TCI AMERICA]

3'-Hydroxyacetanilide,>98.0%(T)(621-42-1)
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