| Identification | More | [Name]
3-Aminobenzylalcohol | [CAS]
1877-77-6 | [Synonyms]
3-AMINOBENZYL ALCOHOL
(3-AMINO-PHENYL)-METHANOL
3-(HYDROXYMETHYL)ANILINE
CHEMPER 4012010
M-AMINOBENZYL ALCOHOL
M-AMINOPHENYLCARBINOL
3-amino-benzenemethano
3-aminobenzenemethanol
Benzyl alcohol, m-amino-
m-amino-benzylalcoho
3-Hydrozymethylaniline
Benzenemethanol, 3-amino-
3-Aminobenzyl alcohol, 98+%
m-Aminobenzenemethanol | [EINECS(EC#)]
217-514-8 | [Molecular Formula]
C7H9NO | [MDL Number]
MFCD00007817 | [Molecular Weight]
123.15 | [MOL File]
1877-77-6.mol |
| Chemical Properties | Back Directory | [Appearance]
beige or grey-beige to brown fine crystalline | [Melting point ]
92-95 °C (lit.) | [Boiling point ]
229.26°C (rough estimate) | [density ]
1.0877 (rough estimate) | [refractive index ]
1.5380 (estimate) | [storage temp. ]
2-8°C
| [form ]
Fine Crystalline Powder | [pka]
14.46±0.10(Predicted) | [color ]
Beige or gray-beige to brown | [Water Solubility ]
Soluble in water. | [BRN ]
2205844 | [InChI]
InChI=1S/C7H9NO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5,8H2 | [InChIKey]
OJZQOQNSUZLSMV-UHFFFAOYSA-N | [SMILES]
C1(CO)=CC=CC(N)=C1 | [CAS DataBase Reference]
1877-77-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzenemethanol, 3-amino-(1877-77-6) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing . | [RIDADR ]
UN2811 | [WGK Germany ]
3
| [RTECS ]
DN3154450
| [F ]
8-10-23 | [Hazard Note ]
Irritant/Harmful | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29221980 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
beige or grey-beige to brown fine crystalline | [Uses]
3-Aminobenzyl alcohol, is used as a reagent in the synthesis of quinone analogs as dynamin GTPase inhibitors. Also used as a reagent in the synthesis of pyrrolo[2,1-f][1,2,4]triazines as novel hedgehog signaling pathway inhibitors. | [Synthesis]
GENERAL PROCEDURE: In a 10 mL round bottom flask equipped with a magnetic stirrer, m-nitrobenzaldehyde (0.123 g, 1 mmol) and water (2 mL) were added to form a mixture. Subsequently, Ni2B (0.006 g, 0.05 mmol) was added to the mixture and stirred for 5 minutes. Next, NaBH4 (0.095 g, 2.5 mmol) was added and the resulting mixture continued to be stirred for 3 minutes at room temperature. The reaction process was monitored by thin layer chromatography (TLC) using hexane/ether (5:3) as eluent. After the reaction was completed, 2% aqueous KOH solution (5 mL) was added and stirring was continued for 10 min. After that, the mixture was extracted with ethyl acetate (3 x 8 mL), the organic phases were combined and dried with anhydrous Na2SO4. Finally, the solvent was evaporated to give pure 3-aminobenzyl alcohol liquid in 95% yield (0.088 g, Table 2, entry 1). | [References]
[1] Journal of the Iranian Chemical Society, 2015, vol. 12, # 7, p. 1221 - 1226
[2] Journal of Chemical Research, 2006, # 8, p. 542 - 544
[3] Dalton Transactions, 2016, vol. 45, # 36, p. 14230 - 14237
[4] Asian Journal of Chemistry, 2010, vol. 22, # 7, p. 5575 - 5580
[5] Journal of the Chemical Society of Pakistan, 2016, vol. 38, # 4, p. 679 - 684 |
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