1-Chloro-2,2-dimethylpropane
1-Chloro-2,2-dimethylpropane (CAS: 753-89-9), also known as neopentyl chloride, is an organic compound with the linear formula (CH <sub>3</sub> )<sub>3</sub> CCH <sub>2</sub> Cl and a molecular weight of 106.59 g/mol. This halogenated hydrocarbon serves as a valuable building block in organic synthesis. Its applications include its use as a substrate in chemical reactions and in studies of enzyme mechanisms, such as dehalogenase activity.
- IUPAC
- Neopentyl chloride
- Synonyms
- (CH3)3CCH2ClNeopentyl chloride
Substrate in Enzyme Mechanism Studies
1-Chloro-2,2-dimethylpropane has been employed as a substrate in quantum mechanics calculations to investigate the catalytic mechanisms of haloalkane dehalogenases, such as LinB from <i>Sphingomonas paucimobilis</i> UT26.
Organic Synthesis Building Block
As a halogenated hydrocarbon, this compound functions as a versatile building block in organic synthesis, enabling the construction of more complex molecular structures.
Research Chemical
Utilised in laboratory settings for various research purposes, contributing to advancements in chemical synthesis and mechanistic studies.
| Molecular weight | 106.59 |
|---|---|
| Linear formula | (CH3)3CCH2Cl |
| Assay | 99% |
| Boiling point | 84-85 °C(lit.) |
| Density | 0.866 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.4039(lit.) |
| Application | 1-Chloro-2,2-dimethylpropane was used as a substrate to perform the quantum mechanics calculations on LinB (a 33-kDa haloalkane dehalogenase from Sphingomonas paucimobilis UT26) to study which active site conformations and protonation states were eligible to result in catalysis1. |
| Melting point | −20 °C(lit.) |
Hazard statements
- H225Highly flammable liquid and vapour
- H302Harmful if swallowed
- H317May cause an allergic skin reaction
Precautionary statements
- P210Keep away from heat, sparks and open flames. No smoking
- P280Wear protective gloves, clothing and eye/face protection
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | -9 °C / 15.8 °F |
| Transport (UN / ADR) | UN 1993BF 3 / PGII |
| Water hazard class (WGK, DE) | 2 |
| Hazard codes (EU) | F,Xn |
| Risk statements (R) | 11-22-43 |
| Safety statements (S) | 16-36/37 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 1-Chloro-2,2-dimethylpropane used for?
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1-Chloro-2,2-dimethylpropane is used as a substrate in chemical research, particularly in studies of enzyme mechanisms like dehalogenation, and as a building block in organic synthesis.
What is the CAS number and formula for 1-Chloro-2,2-dimethylpropane?
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The CAS number for 1-Chloro-2,2-dimethylpropane is 753-89-9, and its linear formula is (CH <sub>3</sub> )<sub>3</sub> CCH <sub>2</sub> Cl.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 1-Chloro-2,2-dimethylpropane with an assay of 99%. This product is typically supplied for research and development purposes and is not represented as USP, BP, EP, or pharmacopoeia grade.
What are the primary safety hazards associated with 1-Chloro-2,2-dimethylpropane?
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1-Chloro-2,2-dimethylpropane is a highly flammable liquid and vapour (H225) and is harmful if swallowed (H302) and may cause an allergic skin reaction (H317). Appropriate personal protective equipment, including eyeshields and chemical-resistant gloves, should be used, and it must be handled away from ignition sources in a well-ventilated area.
How is 1-Chloro-2,2-dimethylpropane packed and exported by TSS?
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Tech Serve Solutions, as a specialist global supplier and exporter, ensures that 1-Chloro-2,2-dimethylpropane is packed and shipped in compliance with international regulations for hazardous materials, including UN 1993 classification.
How can I request a quote or sample for 1-Chloro-2,2-dimethylpropane?
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To request a quote or sample of 1-Chloro-2,2-dimethylpropane, please contact our sales team through the website or call us directly. Our team will be pleased to assist you with your specific requirements.
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