thallanyl formate

• ChemBase ID: 145745
• Molecular Formular: CHO2Tl
• Molecular Mass: 249.40074
• Monoisotopic Mass: 249.97208127
• SMILES: C(=O)O[Tl]
• Canonical SMILES: [Tl]OC=O
• InChI: InChI=1S/CH2O2.Tl/c2-1-3;/h1H,(H,2,3);/q;+1/p-1
• InChIKey: UESISTHQAYQMRA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: thallanyl formate
• IUPAC Traditional name: thallanyl formate
• Synonyms: Thallous formate; Formic acid thallium(I) salt; Thallium(I) formate; 甲酸 铊(I) 盐; 蚁酸亚铊

Database IDs

• CAS Number: 992-98-3
• EC Number: 213-599-0
• MDL Number: MFCD00013102
• PubChem SID: 162239947; 24858767
• PubChem CID: 16684456

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.7801
• LogD (pH = 7.4): -0.7801
• Log P: -0.7801
• Molar Refractivity: 8.8256 cm^3
• Polarizability: 11.798632 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1707
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 26/28-33-51/53
• Safety Statements: 13-28-45-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H330-H373-H411
• GHS Precautionary statements: P260-P264-P273-P284-P301 + P310-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1707 6.1/PG 2

Product Information

• Purity: 97%
• Linear Formula: HCO2Tl

DETAILS

Sigma Aldrich - 310042

Packaging
10 g in glass bottle
Application
Catalyst for cyclization reactions1Used in Cherenkov radiation material2