naphthalene-2-carbonyl chloride

• ChemBase ID: 78002
• Molecular Formular: C11H7ClO
• Molecular Mass: 190.62568
• Monoisotopic Mass: 190.01854252
• SMILES: O=C(c1ccc2c(c1)cccc2)Cl
• Canonical SMILES: ClC(=O)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C11H7ClO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
• InChIKey: XNLBCXGRQWUJLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-2-carbonyl chloride
• IUPAC Traditional name: 2-naphthalenecarbonyl chloride
• Synonyms: Naphthalene-2-carbonyl chloride; 2-Naphthoyl chloride; β-Naphthoyl chloride; 2-Naphthoyl chloride; β-NAPHTHOYL CHLORIDE; β-萘甲酰氯; 2-萘甲酰氯; 2-萘酰氯

Database IDs

• CAS Number: 2243-83-6
• EC Number: 218-822-5
• MDL Number: MFCD00004093
• Beilstein Number: 907776
• PubChem SID: 24855046; 162042838
• PubChem CID: 75246

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.153635
• LogD (pH = 7.4): 3.153635
• Log P: 3.153635
• Molar Refractivity: 53.6229 cm^3
• Polarizability: 21.590569 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48-52°C; 50-52 °C; 50-52 °C(lit.); 50-52°C
• Boiling Point: 159-160°C/9mm; 160-162 °C/11 mmHg(lit.); 160-162°C/11mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: C10H7COCl

DETAILS

MP Biomedicals - 05216251

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 250260

Packaging
10, 50 g in glass bottle