1-Chloro-2,2-dimethylpropane

ALDRICH/274496 - 99%

Synonym: Neopentyl chloride

CAS Number: 753-89-9
Empirical Formula (Hill Notation): C₅H₁₁Cl
Molecular Weight: 106.59
EC Number: 212-040-8
MDL Number: MFCD00000941
Linear Formula: (CH₃)₃CCH₂Cl
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-274496-5G	5 g	$68.70 1/EA		Add To Favorites
45-274496-25G	25 g	$225.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	99%
bp	84-85 °C (lit.)
density	0.866 g/mL at 25 °C (lit.)
InChI	1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3
InChI key	JEKYMVBQWWZVHO-UHFFFAOYSA-N
mp	−20 °C (lit.)
Quality Level	100
refractive index	n20/D 1.4039 (lit.)
SMILES string	CC(C)(C)CCl

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.
Packaging:	5, 25 g in glass bottle

Symbol	GHS02,GHS07,GHS08
Signal word	Danger
Hazard statements	H225 - H302 - H317 - H334
Precautionary statements	P210 - P280 - P301 + P312 + P330 - P302 + P352
Hazard Codes	F,Xn
Risk Statements	11-22-43
Safety Statements	16-36/37
RIDADR	UN 1993BF 3 / PGII
WGK Germany	WGK 2
Flash Point(F)	15.8 °F - closed cup
Flash Point(C)	-9 °C - closed cup

Purity	99%
bp	84-85 °C (lit.)
mp	−20 °C (lit.)
Density	0.866 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.4039 (lit.)
UNSPSC	12352100

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