trichloro(phenyl)germane

• ChemBase ID: 146039
• Molecular Formular: C6H5Cl3Ge
• Molecular Mass: 256.1029
• Monoisotopic Mass: 255.8668602
• SMILES: c1ccc(cc1)[Ge](Cl)(Cl)Cl
• Canonical SMILES: Cl[Ge](c1ccccc1)(Cl)Cl
• InChI: InChI=1S/C6H5Cl3Ge/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
• InChIKey: CIWQSBMDFPABPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(phenyl)germane
• IUPAC Traditional name: trichloro(phenyl)germane
• Synonyms: Phenylgermanium trichloride; 苯基三氯化锗

Database IDs

• CAS Number: 1074-29-9
• EC Number: 214-039-8
• MDL Number: MFCD00000460
• PubChem SID: 162240238; 24857325
• PubChem CID: 66176

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5057
• LogD (pH = 7.4): 3.5057
• Log P: 3.5057
• Molar Refractivity: 43.8832 cm^3
• Polarizability: 20.16424 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 105-106 °C/12 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.584 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.554(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 20/21/22-34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H332
• 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 3265 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: C6H5GeCl3

DETAILS

Sigma Aldrich - 288195

Packaging
1, 5 g in ampule