1-(chloromethyl)naphthalene

• ChemBase ID: 84745
• Molecular Formular: C11H9Cl
• Molecular Mass: 176.64216
• Monoisotopic Mass: 176.03927797
• SMILES: ClCc1cccc2ccccc12
• Canonical SMILES: ClCc1cccc2c1cccc2
• InChI: InChI=1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
• InChIKey: XMWGTKZEDLCVIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(chloromethyl)naphthalene
• IUPAC Traditional name: naphthalene, 1-(chloromethyl)-
• Synonyms: 1-Naphthylmethyl chloride; 1-(Chloromethyl)naphthalene; 1-chloromethyl Naphthalene; 1-(chloromethyl)naphthalene; 1-萘甲基氯; 1-(氯甲基)萘

Database IDs

• CAS Number: 86-52-2
• EC Number: 201-678-2
• MDL Number: MFCD00004042
• Beilstein Number: 636885
• PubChem SID: 24892781; 24855150; 162071861
• PubChem CID: 6845

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5499647
• LogD (pH = 7.4): 3.5499647
• Log P: 3.5499647
• Molar Refractivity: 52.3751 cm^3
• Polarizability: 21.558596 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: deep brown
• Melting Point: 31-33°C; 32 °C(lit.)
• Boiling Point: 167-169 °C/25 mmHg(lit.); 291-292°C
• Flash Point: 113 °C; 132°C(270°F); 235.4 °F
• Density: 1.18 g/mL at 25 °C(lit.); 1.181
• Refractive Index: 1.6370; n20/D 1.635; n20/D 1.635(lit.)

Safety Information

• RTECS: QJ2800000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 21/22-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314; H314-H318-H302-H312
• GHS Precautionary statements: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-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

Product Information

• Purity: ≥97.0% (GC); 90%; 94%; 95+%; 98%
• Grade: technical
• Linear Formula: C10H7CH2Cl

DETAILS

Sigma Aldrich - C54201

Other Notes
remainder 2-(chloromethyl)naphthalene
Packaging
100 g in glass bottle

Sigma Aldrich - 25170

Packaging
50 mL in glass bottle