3-(dimethylamino)phenol

• ChemBase ID: 77212
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: Oc1cc(ccc1)N(C)C
• Canonical SMILES: Oc1cccc(c1)N(C)C
• InChI: InChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3
• InChIKey: MESJRHHDBDCQTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethylamino)phenol
• IUPAC Traditional name: phenol, 3-(dimethylamino)-
• Synonyms: N,N-Dimethyl-3-hydroxyaniline; 3-(Dimethylamino)phenol; N,N-Dimethyl-3-aminophenol; 3-(Dimethylamino)phenol; 3-Dimethylaminophenol; N,N-二甲基-3-氨基苯酚; 3-(二甲氨基)苯酚; 3-二甲基氨基苯酚

Database IDs

• CAS Number: 99-07-0
• EC Number: 202-727-0
• MDL Number: MFCD00002264
• Beilstein Number: 774631
• PubChem SID: 24864469; 162042085; 24893440
• PubChem CID: 7421

CALCULATED PROPERTIES

• Acid pKa: 9.781833
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7659955
• LogD (pH = 7.4): 1.775778
• Log P: 1.7777244
• Molar Refractivity: 42.4675 cm^3
• Polarizability: 15.755866 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: violet
• Melting Point: 80-84°C; 80-84°C; 82-84 °C(lit.)
• Boiling Point: 267°C; 267°C
• Flash Point: 148 °C; 148°C; 148°C(298°F); 298.4 °F

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Air Sensitive/Store under Argon; Light Sensitive
• RTECS: SL1050000
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 21/22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95.0% (NT); 97%; 97+%
• Grade: purum
• Linear Formula: (CH3)2NC6H4OH

DETAILS

Sigma Aldrich - D144002

Packaging
25 g in poly bottle
5 g in glass bottle