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About This Item
Empirical Formula (Hill Notation):
C11H19ClO2
CAS Number:
Molecular Weight:
218.72
UNSPSC Code:
12352101
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
2414685
Form:
liquid
form
liquid
Quality Level
optical activity
[α]20/D +83°, c = 1 in chloroform
optical purity
ee: 97% (GLC)
refractive index
n20/D 1.458 (lit.)
bp
108-109 °C/11 mmHg (lit.)
density
1.031 g/mL at 25 °C (lit.)
functional group
chloro
storage temp.
2-8°C
SMILES string
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(Cl)=O
InChI
1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m0/s1
InChI key
KIUPCUCGVCGPPA-AEJSXWLSSA-N
Application
Chiral auxiliary in the asymmetric synthesis of quaternary carbon centers.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Inhalation - Skin Corr. 1B
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
158.0 °F - closed cup
flash_point_c
70 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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Tetrahedron Letters, 26, 5433-5433 (1985)
Mohammad Mehdi Koleini et al.
The journal of physical chemistry. B, 124(1), 224-233 (2019-12-10)
This study aims to elucidate the impact of salinity on the interactions governing the adsorption of polar aromatic oil compounds onto calcite. To this end, molecular dynamics simulations were employed to assess adsorption of a model polar organic molecule (deprotonated
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 378712-25ML | 04061837385032 |
| 378712-5ML | 04061837385049 |

