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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
Structure of tert-Butyl chloride

SMILES

CC(C)(C)Cl

InChI

InChIKey=NBRKLOOSMBRFMH-UHFFFAOYSA-N
InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3

HIDE SMILES / InChI

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

PubMed

TitleDatePubMed
CH stretching vibrational overtone spectra of tert-butylbenzene, tert-butyl chloride, and tert-butyl iodide.
2005 May 12
Phase equilibrium of binary mixtures of cyclic ethers + chlorobutane isomers: experimental measurements and SAFT-VR modeling.
2007 Aug 16
Ultrasonic evidence of hydrophobic interactions. Effect of ultrasound on benzoin condensation and some other reactions in aqueous ethanol.
2007 Mar 29
Phase equilibrium of liquid mixtures: experimental and modeled data using statistical associating fluid theory for potential of variable range approach.
2007 Oct 14
Heterolytic bond dissociation in water: why is it so easy for C4H9Cl but not for C3H9SiCl?
2008 Apr 3
MD study of SN1 reactivity of 2-chloro-2-methylpropane in the room-temperature ionic liquid 1-ethyl-3-methylimidazolium hexafluorophosphate.
2008 Mar 6
Conformational dynamics and ligand binding in the multi-domain protein PDC109.
2010 Feb 18
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:37:11 GMT 2023
Edited
by admin
on Fri Dec 15 17:37:11 GMT 2023
Record UNII
JN2YO95TZ0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
tert-Butyl chloride
MI  
Systematic Name English
tert-Butyl chloride [MI]
Common Name English
Trimethylchloromethane
Systematic Name English
2-Chloro-2-methylpropane
Systematic Name English
Propane, 2-chloro-2-methyl-
Systematic Name English
NSC-6527
Code English
Butyl chloride, tert-
Systematic Name English
t-Butyl chloride
Systematic Name English
Code System Code Type Description
MERCK INDEX
m2833
Created by admin on Fri Dec 15 17:37:11 GMT 2023 , Edited by admin on Fri Dec 15 17:37:11 GMT 2023
PRIMARY Merck Index
WIKIPEDIA
TERT-BUTYL CHLORIDE
Created by admin on Fri Dec 15 17:37:11 GMT 2023 , Edited by admin on Fri Dec 15 17:37:11 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-066-4
Created by admin on Fri Dec 15 17:37:11 GMT 2023 , Edited by admin on Fri Dec 15 17:37:11 GMT 2023
PRIMARY
CAS
507-20-0
Created by admin on Fri Dec 15 17:37:11 GMT 2023 , Edited by admin on Fri Dec 15 17:37:11 GMT 2023
PRIMARY
NSC
6527
Created by admin on Fri Dec 15 17:37:11 GMT 2023 , Edited by admin on Fri Dec 15 17:37:11 GMT 2023
PRIMARY
PUBCHEM
10486
Created by admin on Fri Dec 15 17:37:11 GMT 2023 , Edited by admin on Fri Dec 15 17:37:11 GMT 2023
PRIMARY
FDA UNII
JN2YO95TZ0
Created by admin on Fri Dec 15 17:37:11 GMT 2023 , Edited by admin on Fri Dec 15 17:37:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID2023937
Created by admin on Fri Dec 15 17:37:11 GMT 2023 , Edited by admin on Fri Dec 15 17:37:11 GMT 2023
PRIMARY