chloro[(3-chlorophenyl)methyl]zinc

• ChemBase ID: 150059
• Molecular Formular: C7H6Cl2Zn
• Molecular Mass: 226.40854
• Monoisotopic Mass: 223.91379755
• SMILES: c1cc(cc(c1)Cl)C[Zn]Cl
• Canonical SMILES: Cl[Zn]Cc1cccc(c1)Cl
• InChI: InChI=1S/C7H6Cl.ClH.Zn/c1-6-3-2-4-7(8)5-6;;/h2-5H,1H2;1H;/q;;+1/p-1
• InChIKey: VJWMZXWZIIUJNC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(3-chlorophenyl)methyl]zinc
• IUPAC Traditional name: chloro[(3-chlorophenyl)methyl]zinc
• Synonyms: 3-Chlorobenzylzinc chloride solution; 3-Chlorobenzylzinc chloride, 0.5M in THF; 3-氯苄基氯化锌 溶液

Database IDs

• CAS Number: 312624-13-8
• MDL Number: MFCD01319881
• PubChem SID: 24873126; 162244221
• PubChem CID: 4078842

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.575
• LogD (pH = 7.4): 2.575
• Log P: 2.575
• Molar Refractivity: 41.306 cm^3
• Polarizability: 19.24848 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.969; 0.969 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 2056; UN3399
• German water hazard class: 3
• Hazard Class: 3; 4.3
• Packing Group: 2; II
• Risk Statements: 11-14-19-34; 11-19-36/37
• Safety Statements: 16-26; 8-16-26-36/37/39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H314-H351-H335; H225-H319-H335
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P305 + P351 + P338
• RID/ADR: UN 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF; 0.5M in THF
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Linear Formula: ClC6H4CH2ZnCl

DETAILS

Sigma Aldrich - 497576

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.