tert-Butyl chloride

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NCATS

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	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Show entries

Title	Date	PubMed
Synthesis, in vitro metabolic studies, and antitumour activity of methyl analogues of ifosfamide.	2001 Sep	11688140
Heterolytic bond dissociation in water: why is it so easy for C4H9Cl but not for C3H9SiCl?	2008 Apr 3	18331015
Conformational dynamics and ligand binding in the multi-domain protein PDC109.	2010 Feb 18	20174627

Showing 1 to 3 of 3 entries

Substance Class	Chemical
Record UNII	JN2YO95TZ0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

tert-Butyl chloride

Systematic Name

English

NSC-6527

Preferred Name

English

tert-Butyl chloride [MI]

Common Name

English

Trimethylchloromethane

Systematic Name

English

2-Chloro-2-methylpropane

Systematic Name

English

Showing 1 to 5 of 8 entries

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Code System

Code

Type

Description

MERCK INDEX

m2833

PRIMARY

Merck Index

WIKIPEDIA

TERT-BUTYL CHLORIDE

PRIMARY

ECHA (EC/EINECS)

208-066-4

PRIMARY

CAS

507-20-0

PRIMARY

NSC

6527

PRIMARY

Showing 1 to 5 of 8 entries

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