2-bromo-1,1-dimethoxyethane

• ChemBase ID: 69465
• Molecular Formular: C4H9BrO2
• Molecular Mass: 169.01706
• Monoisotopic Mass: 167.97859153
• SMILES: C(CBr)(OC)OC
• Canonical SMILES: BrCC(OC)OC
• InChI: InChI=1S/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3
• InChIKey: FUSFWUFSEJXMRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1,1-dimethoxyethane
• IUPAC Traditional name: ethane, 2-bromo-1,1-dimethoxy-
• Synonyms: 2-Bromo-1,1-dimethoxyethane; Bromoacetaldehyde dimethyl acetal; 2-Bromo-1,1-dimethoxyethane; Bromoacetaldehyde dimethyl acetal; 2-Bromo-1,1-dimethoxyethane; Bromoacetaldehyde dimethyl acetal; 溴乙醛缩二甲醇; 溴乙醛缩二甲醛; 2-溴-1,1-二甲氧基乙烷

Database IDs

• CAS Number: 7252-83-7
• EC Number: 230-669-6
• MDL Number: MFCD00000213
• Beilstein Number: 1280132
• PubChem SID: 24854563; 162035191
• PubChem CID: 81672

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2534372
• LogD (pH = 7.4): 1.2534372
• Log P: 1.2534372
• Molar Refractivity: 31.1204 cm^3
• Polarizability: 12.437909 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 148-150 °C(lit.); 150°C
• Flash Point: 123.8 °F; 51 °C; 54°C(129°F)
• Density: 1.43 g/mL at 25 °C(lit.); 1.435
• Refractive Index: 1.4460; n20/D 1.445(lit.)
• Hydrophobicity(logP): 0.078

Safety Information

• Storage Warning: IRRITANT; Moisture Sensitive
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• UN Number: 1989; UN2929
• German water hazard class: 3
• Hazard Class: 3; 6.1
• Packing Group: 3; II
• Risk Statements: 10-22-23-36/37/38; 10-36
• Safety Statements: 26-36/39; 4-9-20-23-26-36/37/39-45-60
• TSCA Listed: false; 是
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H319; H301-H330-H315-H319-H335-H226
• GHS Precautionary statements: P280H-P305+P351+P338-P309-P310; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1989 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 95+%; 97%; 97+%, stab. with potassium carbonate
• Contains: 0.2% potassium carbonate as stabilizer
• Linear Formula: BrCH2CH(OCH3)2

DETAILS

Sigma Aldrich - 242500

Packaging
25, 100 g in glass bottle