274496

1-Chloro-2,2-dimethylpropane

98%

• Synonym(s): Neopentyl chloride
• Linear Formula: (CH₃)₃CCH₂Cl
• CAS Number: 753-89-9
• Molecular Weight: 106.59
• EC Number: 212-040-8
• MDL number: MFCD00000941
• UNSPSC Code: 12352100
• PubChem Substance ID: 24856587
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• refractive index: n20/D 1.4039 (lit.)
• bp: 84-85 °C (lit.)
• mp: −20 °C (lit.)
• density: 0.866 g/mL at 25 °C (lit.)
• functional group: alkyl halide; chloro
• SMILES string: CC(C)(C)CCl
• InChI: 1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3
• InChI key: JEKYMVBQWWZVHO-UHFFFAOYSA-N

Description

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 catalysis.

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H225,H302,H317,H334
• pcodes: P210 - P233 - P240 - P280 - P301 + P312 - P303 + P361 + P353
• Hazard Classifications: Acute Tox. 4 Oral - Flam. Liq. 2 - Resp. Sens. 1 - Skin Sens. 1
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 15.8 °F - closed cup
• flash_point_c: -9 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter