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Key Documents

19780

Sigma-Aldrich

2-Chloro-2-methylpropane

puriss. p.a., ≥99.0% (GC)

Synonym(s):

tert-Butyl chloride

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About This Item

Linear Formula:
(CH3)3CCl
CAS Number:
Molecular Weight:
92.57
Beilstein/REAXYS Number:
1730872
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor density

3.2 (vs air)

Quality Level

vapor pressure

4.82 psi ( 20 °C)

grade

puriss. p.a.

assay

≥99.0% (GC)

evapn. residue

≤0.01%

refractive index

n20/D 1.385 (lit.)
n20/D 1.385

bp

51-52 °C (lit.)

mp

−25 °C (lit.)

density

0.851 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg
Ba: ≤0.1 mg/kg
Bi: ≤0.1 mg/kg
Ca: ≤0.5 mg/kg
Cd: ≤0.05 mg/kg
Co: ≤0.02 mg/kg
Cr: ≤0.02 mg/kg
Cu: ≤0.02 mg/kg
Fe: ≤0.5 mg/kg
K: ≤0.5 mg/kg
Li: ≤0.1 mg/kg
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Mo: ≤0.1 mg/kg
Na: ≤2 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sr: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

functional group

alkyl halide
chloro

SMILES string

CC(C)(C)Cl

InChI

1S/C4H9Cl/c1-4(2,3)5/h1-3H3

InChI key

NBRKLOOSMBRFMH-UHFFFAOYSA-N

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pictograms

Flame

signalword

Danger

hcodes

pcodes

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

-9.4 °F - closed cup

flash_point_c

-23 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves


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Youngseon Shim et al.
The journal of physical chemistry. B, 112(9), 2637-2643 (2008-02-14)
The S(N)1 ionization reaction RX --> R(+) + X(-) for 2-chloro-2-methylpropane in ionic liquid 1-ethyl-3-methylimidazolium hexafluorophosphate ([emim](+)P(-)(6)) is studied via molecular dynamics computer simulations. By employing a two-state valence-bond description for electronic structure variations of the reaction complex, the free
Maria C Mavroudi et al.
Electrophoresis, 35(18), 2573-2578 (2014-05-24)
The aim of the present study is the CE performance evaluation for the separation of 2-arylpropionic acid nonsteroidal anti-inflammatory drugs. In particular, the separation of indoprofen, carprofen, ketoprofen, ibuprofen, and flurbiprofen was obtained by supporting the BGE either with SDS

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