1-Chloro-2-methylpropane

CAT: 0926-AAA51336Size: 500 gDry Ice: NoHazardous: No

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CAT#:0926-AAA51336Size:500 g

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CAS Number

513-36-0

MDL Number

MFCD00000954

Smiles

CC (C) CCl

Molecular Formula

C4H9Cl (CH3) 2CHCH2Cl

Molecular Weight

92.57 g/mol

Controlled

Chemical Information

Isobutyl chloride

CAS Number	513-36-0
PubChem CID	10554
IUPAC Name	1-chloro-2-methylpropane
Molecular Formula	C4H9Cl
Molecular Weight	92.57
XLogP	2.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	17

SMILES

CC(C)CCl

InChI

InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3

InChIKey

QTBFPMKWQKYFLR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 513-36-0

CID: 10554

Formula: C4H9Cl

MW: 92.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	92.57
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	92.0392780
Monoisotopic Mass	92.0392780
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	17.6
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
KAA14681-01	1-Chloro-2-isocyanato-2-methylpropane
TDC50227-01	1-Chloro-3-methanesulfonyl-2-methylpropane
GAA97477	1-Bromo-3-chloro-2-methylpropane
ADA25531-01	3-Chloro-2-methylpropane-1-sulfonyl chloride
UNC73238-01	1-Bromo-3-chloro-2-methoxy-2-methylpropane
DXC60134-01	3-Chloro-2- (chloromethyl) -2-methylpropane-1-sulfonyl chloride
IDA63506-01	3-Chloro-N-methylpropane-1-sulfonamide
FI73281-01	1-Isocyanato-2-methylpropane
EAA96316-01	1- (2-Bromoethoxy) -2-methylpropane
WDC54911	4-chloro-6- (2-methylpropane-2-sulfonyl) quinoline

Catalog	Name
sc-237517	1-Chloro-2-methylpropane
416553-01	2-Chloro-2-methylpropane
sc-265442	2-Bromo-1-chloro-2-methylpropane
409220-01	1-Bromo-3-chloro-2-methylpropane
HY-150519S-01	2-Chloro-2-methylpropane-d9
C15132	2-Chloro-2-methylpropane 99%
424807-01	3-Chloro-1,1-dimethoxy-2-methylpropane