naphthalen-1-yl chloroformate

• ChemBase ID: 152494
• Molecular Formular: C11H7ClO2
• Molecular Mass: 206.62508
• Monoisotopic Mass: 206.01345714
• SMILES: c1ccc2c(c1)cccc2OC(=O)Cl
• Canonical SMILES: ClC(=O)Oc1cccc2c1cccc2
• InChI: InChI=1S/C11H7ClO2/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
• InChIKey: JRUFQZPDRRGHEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-1-yl chloroformate
• IUPAC Traditional name: 1-naphthylchlorocarbonate
• Synonyms: 1-Naphthyl chloroformate; 氯甲酸-1-萘酯

Database IDs

• CAS Number: 3759-61-3
• EC Number: 223-168-9
• MDL Number: MFCD01726288
• Beilstein Number: 512216
• PubChem SID: 24853883; 162246639
• PubChem CID: 19575

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5767102
• LogD (pH = 7.4): 3.5767102
• Log P: 3.5767102
• Molar Refractivity: 54.3536 cm^3
• Polarizability: 22.282055 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 125 °C; 257 °F
• Density: 1.273 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.598

Safety Information

• RTECS: LQ6660000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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 3261 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC)
• Empirical Formula (Hill Notation): C11H7ClO2

DETAILS

Sigma Aldrich - 23215

Packaging
10 mL in glass bottle