1-Chloro-2,2-dimethylpropane
Synonym(s):Neopentyl chloride
- CAS NO.：753-89-9
- Empirical Formula: C5H11Cl
- Molecular Weight: 106.59
- MDL number: MFCD00000941
- EINECS: 212-040-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-09-12 18:49:11
What is 1-Chloro-2,2-dimethylpropane?
Description
1-Chloro-2,2-dimethylpropane, also known as neopentyl chloride, is an organic compound with the molecular formula C5H11ClC5?H11?Cl and a molecular weight of approximately 106.59 g/mol. It features a central carbon atom bonded to three methyl groups and one chlorine atom, making it a tertiary alkyl halide.
The Uses of 1-Chloro-2,2-dimethylpropane
1-Chloro-2,2-dimethylpropane is used as a reactant in the SN2 reaction for alkyl chlorides with Cl-; IMOMO(Integrated MO MO) method for large systems.
The Uses of 1-Chloro-2,2-dimethylpropane
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 catalysis.
Properties of 1-Chloro-2,2-dimethylpropane
| Melting point: | −20 °C(lit.) |
| Boiling point: | 84-85 °C(lit.) |
| Density | 0.866 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | 16 °F |
| form | liquid |
| Specific Gravity | 0.866 |
| color | colorless |
| Water Solubility | Miscible with organic solvents. Immiscible with water. |
| BRN | 1730985 |
| CAS DataBase Reference | 753-89-9(CAS DataBase Reference) |
| EPA Substance Registry System | 1-Chloro-2,2-dimethylpropane (753-89-9) |
Safety information for 1-Chloro-2,2-dimethylpropane
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H302:Acute toxicity,oral H317:Sensitisation, Skin H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
Computed Descriptors for 1-Chloro-2,2-dimethylpropane
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