Tert-Butyl chloride

CAT: 0063-90028163Size: 500 mLDry Ice: NoHazardous: No

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CAT#:0063-90028163Size:500 mL

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CAS Number

507-20-0

Chemical Information

tert-BUTYL CHLORIDE

CAS Number	507-20-0
PubChem CID	10486
IUPAC Name	2-chloro-2-methylpropane
Molecular Formula	C4H9Cl
Molecular Weight	92.57
XLogP	1.8
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	25

SMILES

CC(C)(C)Cl

InChI

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

InChIKey

NBRKLOOSMBRFMH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 507-20-0

CID: 10486

Formula: C4H9Cl

MW: 92.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	92.57
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	92.0392780
Monoisotopic Mass	92.0392780
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	25.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
79269061-100g	Tert-Butyl acetoacetate
33912880-100g	Tert-Butyl bromoacetate
79269061	Tert-Butyl acetoacetate
33912880	Tert-Butyl bromoacetate
90026911	4-tert-Butylbenzoyl chloride
90026911-25g	4-tert-Butylbenzoyl chloride
18500508	Di-tert-butyl malonate
18500508-25g	Di-tert-butyl malonate
11646577-100g	2-tert-Butyl-4-methoxyphenol
62638603-100g	Di-tert-butyl dicarbonate (DIBOC)

Catalog	Name
OR16425-01	Tert-Butyl chloride
1022100 500	Tert- Butyl Chloride for Synthesis
CS-T-50857	Tert-Butyl-d9 chloride
E8220	Tert-butyl chloride-d9
AQ A1 0041-01	Tert-butyl- (tert-butylamino) azanium chloride
00572 00500	Tert-Butyl Chloride 99% For Synthesis
22942-01	Tert-Butyl Chloride extrapure, 99%
sc-322628	3-tert-Butyl benzenesulfonyl chloride
OR60136	3- (tert-Butyl) benzenesulphonyl chloride
OR6263	4- (tert-Butyl) phenacyl chloride