2-amino-5-nitrophenol

• ChemBase ID: 68269
• Molecular Formular: C6H6N2O3
• Molecular Mass: 154.12344
• Monoisotopic Mass: 154.03784206
• SMILES: c1(c(ccc(c1)[N+](=O)[O-])N)O
• Canonical SMILES: [O-][N+](=O)c1ccc(c(c1)O)N
• InChI: InChI=1S/C6H6N2O3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H,7H2
• InChIKey: DOPJTDJKZNWLRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-nitrophenol
• IUPAC Traditional name: 2-amino-5-nitrophenol
• Synonyms: 2-Amino-5-nitrophenol; 3-Hydroxy-4-aminonitrobenzene; 3-Nitro-6-aminophenol; 5-Nitro-2-amino-1-hydroxybenzene; 5-Nitro-2-aminophenol; NSC 7087; 2-Amino-5-nitrophenol; 2-AMINO-5-NITRO PHENOL; 2-Hydroxy-4-nitroaniline; 4-Amino-3-hydroxynitrobenzene; 2-羟基-4-硝基苯胺; 2-氨基-5-硝基苯酚

Database IDs

• CAS Number: 121-88-0
• EC Number: 204-503-8
• MDL Number: MFCD00007692
• Beilstein Number: 972974
• PubChem SID: 162034001; 24858130
• PubChem CID: 4984721

CALCULATED PROPERTIES

• Acid pKa: 8.694653
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7804032
• LogD (pH = 7.4): 0.75938606
• Log P: 0.7807387
• Molar Refractivity: 39.0598 cm^3
• Polarizability: 14.028834 Å^3
• Polar Surface Area: 89.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198-200(dec.)°C; 198-202 °C (dec.)(lit.); ca 200°C dec.

Safety Information

• Storage Warning: IRRITANT; Irritant/Mutagenic/Light Sensitive/Store under Argon
• RTECS: SJ6302500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38; 36/37/38-68
• Safety Statements: 26-36/37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H341-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: 90%; 90-95% (NT); 95+%; 96%
• Grade: technical; technical grade
• Linear Formula: H2NC6H3(NO2)OH

DETAILS

MP Biomedicals - 05212091

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 303585

Packaging
25, 100 g in glass bottle
Application
Reactant for:
• Diazotation and coupling reactions1
• Preparation of biologically and pharmacologically active molecules2

Sigma Aldrich - A70607

Packaging
25 g in glass bottle
Application
Reactant for:
• Diazotation and coupling reactions1
• Preparation of biologically and pharmacologically active molecules2

Sigma Aldrich - 08930

Application
Reactant for:
• Diazotation and coupling reactions1
• Preparation of biologically and pharmacologically active molecules2