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274496

Sigma-Aldrich

1-Chloro-2,2-dimethylpropane

99%

Synonym(s):

Neopentyl chloride

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About This Item

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

Quality Level

100

Assay

99%

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.)

SMILES string

CC(C)(C)CCl

InChI

1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3

InChI key

JEKYMVBQWWZVHO-UHFFFAOYSA-N

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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.

Signal Word

Danger

Hazard Statements

H225,H302,H317,H334

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 2 - Resp. Sens. 1 - Skin Sens. 1

WGK

WGK 2

Flash Point(F)

15.8 °F

Flash Point(C)

-9 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

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Aaron J Oakley et al.
Biochemistry, 43(4), 870-878 (2004-01-28)
We present the structure of LinB, a 33-kDa haloalkane dehalogenase from Sphingomonas paucimobilis UT26, at 0.95 A resolution. The data have allowed us to directly observe the anisotropic motions of the catalytic residues. In particular, the side-chain of the catalytic

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