274496
1-Chloro-2,2-dimethylpropane
98%
Synonym(s):
Neopentyl chloride
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About This Item
Linear Formula:
(CH3)3CCH2Cl
CAS Number:
Molecular Weight:
106.59
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
212-040-8
MDL number:
Assay:
98%
InChI key
JEKYMVBQWWZVHO-UHFFFAOYSA-N
InChI
1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3
SMILES string
CC(C)(C)CCl
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
Quality Level
Related Categories
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.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Flam. Liq. 2 - Resp. Sens. 1 - Skin Sens. 1
Storage Class
3 - Flammable liquids
wgk
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
Regulatory Information
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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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