naphthalene-1-carbonyl chloride

• ChemBase ID: 10008
• Molecular Formular: C11H7ClO
• Molecular Mass: 190.62568
• Monoisotopic Mass: 190.01854252
• SMILES: C(=O)(c1c2c(ccc1)cccc2)Cl
• Canonical SMILES: ClC(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C11H7ClO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
• InChIKey: NSNPSJGHTQIXDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-1-carbonyl chloride
• IUPAC Traditional name: naphthalene-1-carbonyl chloride
• Synonyms: 1-Naphthoyl chloride; Naphthalene-1-carbonyl chloride; 1-Naphthoyl chloride 98%; 1-Naphthoyl chloride; 1-Naphthalenecarbonyl chloride; 1-萘甲酰氯

Database IDs

• CAS Number: 879-18-5
• EC Number: 212-903-9
• MDL Number: MFCD00004002
• Beilstein Number: 775785
• PubChem SID: 160973315; 24886108; 24855045
• PubChem CID: 70146

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: 21.593609 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16-19 °C(lit.); 16-19°C; 16-19°C
• Boiling Point: 118°C/0.1mm; 118°C/0.1mm; 120°C/2mm; 190 °C/35 mmHg(lit.)
• Flash Point: >110 °C; >110°C; >110°C(230°F); >230 °F
• Density: 1.265; 1.265 g/mL at 25 °C(lit.)
• Refractive Index: 1.6525; n20/D 1.652; n20/D 1.652(lit.)

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon; Moisture Sensitive; MOISTURE SENSITIVE, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34; 34-37
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 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: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: ≥95.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: C10H7COCl

DETAILS

Sigma Aldrich - 250252

Packaging
10, 50 g in glass bottle