Neopentyl chloride, 98%

Description

CAS: 753-89-9 | C5H11Cl | 106.593 g/mol

Neopentyl chloride is a substrate used for quantum mechanics calculations on LinB to study about active site conformations and protonation states for catalysis.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Neopentyl chloride is a substrate used for quantum mechanics calculations on LinB to study about active site conformations and protonation states for catalysis.

Solubility
Miscible with organic solvents. Immiscible with water.

Notes
Incompatible with strong oxidizing agents and alkali metals.

Specifications

Chemical Identifiers

• CAS: 753-89-9
• Molecular Formula: C5H11Cl
• Molecular Weight (g/mol): 106.593
• MDL Number: MFCD00000941
• InChI Key: JEKYMVBQWWZVHO-UHFFFAOYSA-N
• PubChem CID: 12956
• IUPAC Name: 1-chloro-2,2-dimethylpropane
• SMILES: CC(C)(C)CCl

• Melting Point: -20°C
• Density: 0.868
• Boiling Point: 83°C to 84°C
• Flash Point: −8°C (17°F)
• Odor: Sweet
• Refractive Index: 1.4039
• Linear Formula: (CH₃)₃CCH₂Cl
• Quantity: 5 g
• UN Number: UN1107
• Beilstein: 1730985
• Synonym: neopentyl chloride, propane, 1-chloro-2,2-dimethyl, neo-pentylchloride, t-c4h9ch2cl, 2,2-dimethylpropyl chloride, acmc-1bc1q, neopentyl chloride 5g, propane,1-chloro-2,2-dimethyl, 1-chloro-2,2-dimethylpropane
• Solubility Information: Miscible with organic solvents. Immiscible with water.
• Formula Weight: 106.6
• Percent Purity: 98%
• Chemical Name or Material: Neopentyl chloride

Safety and Handling

Hazard Category	H225
Hazard Statement	GHS H Statement H225 Highly flammable liquid and vapor.
Precautionary Statement	P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: II; Proper Shipping Name: AMYL CHLORIDES
EINECSNumber	212-040-8
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only