2-hydroxynaphthalene-1-carbaldehyde

• ChemBase ID: 92297
• Molecular Formular: C11H8O2
• Molecular Mass: 172.18002
• Monoisotopic Mass: 172.0524295
• SMILES: O=Cc1c(ccc2ccccc12)O
• Canonical SMILES: O=Cc1c(O)ccc2c1cccc2
• InChI: InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
• InChIKey: NTCCNERMXRIPTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxynaphthalene-1-carbaldehyde
• IUPAC Traditional name: 2-hydroxynaphthalene-1-carbaldehyde
• Synonyms: 2-Hydroxy-1-naphthaldehyde; 2-Hydroxynaphthalene-1-carboxaldehyde; 1-Formyl-2-hydroxynaphthalene; 2-Hydroxy-1-naphthaldehyde; 2-羟基-1-萘甲醛

Database IDs

• CAS Number: 708-06-5
• EC Number: 211-902-0
• MDL Number: MFCD00004005
• Beilstein Number: 742777
• PubChem SID: 24895523; 162078995
• PubChem CID: 12819

CALCULATED PROPERTIES

• Acid pKa: 8.210636
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.020821
• LogD (pH = 7.4): 2.9597025
• Log P: 3.0216596
• Molar Refractivity: 51.0731 cm^3
• Polarizability: 20.368324 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76.85°C; 76-80 °C(lit.); 77-80°C
• Boiling Point: 191-193°C/27mm; 191-193°C/27mm; 192 °C/27 mmHg(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Air Sensitive; Irritant/Air Sensitive/Store under Argon
• RTECS: QJ0300000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38; 36/37/38-50/53
• Safety Statements: 26-36-60-61; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H400
• GHS Precautionary statements: P261-P273-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 97%; 98%
• Grade: technical grade
• Linear Formula: HOC10H6CHO

DETAILS

MP Biomedicals - 02151298

Used in Merrifield-type synthesis to determine free amino acid groups in polymers.

MP Biomedicals - 05201011

MP Biomedicals Rare Chemical collection

Sigma Aldrich - H45353

Packaging
25, 100 g in poly bottle