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| CAS No.: | 621-35-2 |
|---|---|
| Name: | 3'-AMINOACETANILIDE HYDROCHLORIDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H10N2O.HCl |
| Molecular Weight: | 186.641 |
| Synonyms: | Acetamide,N-(3-aminophenyl)-, monohydrochloride (9CI);1-Acetylamino-3-aminobenzenehydrochloride;3-Acetylaminoaniline hydrochloride;3-Aminoacetanilidehydrochloride;N-(3-Aminophenyl)acetamide hydrochloride;m-Aminoacetanilidehydrochloride; |
| EINECS: | 210-682-3 |
| Density: | 1.2814 (rough estimate) |
| Melting Point: | 247 °C |
| Boiling Point: | 189 °C |
| Flash Point: | 388.9 °C at 760 mmHg |
| Appearance: | LIGHT GREY FINE POWDER |
| Hazard Symbols: |
 T
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| Risk Codes: | R36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 55.12000 |
| LogP: | 2.68340 |
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Specification
The 3'-Aminoacetanilide hydrochloride is an organic compound with the formula C8H10N2O.HCl. It appears as grey crystalline powder. The IUPAC name of this chemical is N-(3-aminophenyl)acetamide hydrochloride. With the CAS registry number 621-35-2, it is also named as N-Acetyl-m-phenylenediamine hydrochloride; 3-Acetamidoanilinium chloride, and m-Aminoacetanilide, hydrochloride.
Physical properties about this chemical are: (1)ACD/LogP: -0.06; (2)ACD/LogD (pH 5.5): -0.09; (3) ACD/LogD (pH 7.4): -0.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.53; (7)ACD/KOC (pH 7.4): 22.09; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 189 °C; (12)Enthalpy of Vaporization: 63.82 kJ/mol; (13)Boiling Point: 388.9 °C at 760 mmHg; (14) Vapour Pressure: 2.96E-06 mmHg at 25 °C.
Preparation: The 3'-Aminoacetanilide hydrochloride can be obtained from the reaction of 1-bromo-propane and acetic acid-(3-amino-anilide); hydrochloride.
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Uses: It can be used for intermediates of Dyes and Pigments.
Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: CC(=O)NC1=CC=CC(=C1)N.Cl
(2)InChI: InChI=1S/C8H10N2O.ClH/c1-6(11)10-8-4-2-3-7(9)5-8;/h2-5H,9H2,1H3,(H,10,11);1H
(3)InChIKey: NALDFXSDXQXFPL-UHFFFAOYSA-N
The toxicity data is as follows: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and you should wear suitable gloves and eye/face protection.