Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C4H9Cl |
| Molecular Weight | 92.567 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(C)Cl
InChI
InChIKey=NBRKLOOSMBRFMH-UHFFFAOYSA-N
InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3
| Molecular Formula | C4H9Cl |
| Molecular Weight | 92.567 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Conformational dynamics and ligand binding in the multi-domain protein PDC109. | 2010-02-18 |
|
| Heterolytic bond dissociation in water: why is it so easy for C4H9Cl but not for C3H9SiCl? | 2008-04-03 |
|
| MD study of SN1 reactivity of 2-chloro-2-methylpropane in the room-temperature ionic liquid 1-ethyl-3-methylimidazolium hexafluorophosphate. | 2008-03-06 |
|
| Phase equilibrium of liquid mixtures: experimental and modeled data using statistical associating fluid theory for potential of variable range approach. | 2007-10-14 |
|
| Phase equilibrium of binary mixtures of cyclic ethers + chlorobutane isomers: experimental measurements and SAFT-VR modeling. | 2007-08-16 |
|
| Ultrasonic evidence of hydrophobic interactions. Effect of ultrasound on benzoin condensation and some other reactions in aqueous ethanol. | 2007-03-29 |
|
| Evidence for different types of water participation in the solvolysis of 1-adamantyl, tert-butyl, and methyl chlorides from density functional theory computations. | 2005-12-09 |
|
| CH stretching vibrational overtone spectra of tert-butylbenzene, tert-butyl chloride, and tert-butyl iodide. | 2005-05-12 |
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| Pressure effects on Friedel-Crafts alkylation reactions in supercritical difluoromethane. | 2005-03 |
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| Sub-Tg relaxations due to dipolar solutes in nonpolar glass-forming solvents. | 2005-01-01 |
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| A solvolysis model for 2-chloro-2-methyladamantane based on the linear solvation energy approach. | 2004-12-10 |
|
| Molecular dynamics of tert-butyl chloride confined in CPG studied by NMR. | 2004-01 |
|
| Is the tert-butyl chloride solvolysis the most misunderstood reaction in organic chemistry? Evidence against nucleophilic solvent participation in the tert-butyl chloride transition state and for increased hydrogen bond donation to the 1-adamantyl chloride solvolysis transition state. | 2001-11-07 |
|
| Synthesis, in vitro metabolic studies, and antitumour activity of methyl analogues of ifosfamide. | 2001-09 |
|
| Formation and decomposition of chloroaromatic compounds in chlorine-containing benzene/oxygen flames. | 2001-02-24 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:49:30 GMT 2025
by
admin
on
Mon Mar 31 18:49:30 GMT 2025
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| Record UNII |
JN2YO95TZ0
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| Record Status |
Validated (UNII)
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| Record Version |
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m2833
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TERT-BUTYL CHLORIDE
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208-066-4
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