Sec-Butylbenzene

CAT: 0926-FB142662-01Size: 0.1 KgDry Ice: NoHazardous: No

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CAT#:0926-FB142662-01Size:0.1 Kg

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CAS Number

135-98-8

MDL Number

MFCD00009329

Molecular Formula

C10H14

Molecular Weight

134.22 g/mol

Controlled

Chemical Information

Sec-Butylbenzene

Sec-butylbenzene is an alkylbenzene that is benzene substituted by a butan-2-yl group.

CAS Number	135-98-8
PubChem CID	8680
IUPAC Name	butan-2-ylbenzene
Molecular Formula	C10H14
Molecular Weight	134.22
XLogP	4.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	80

SMILES

CCC(C)C1=CC=CC=C1

InChI

InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3

InChIKey

ZJMWRROPUADPEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 135-98-8

CID: 8680

Formula: C10H14

MW: 134.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	134.22
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	134.109550447
Monoisotopic Mass	134.109550447
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	80
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FB54927-01	N-Butylbenzene
FB61874	1-Bromo-4-butylbenzene
MXB43700-01	3-tert-Butylbenzene-1-sulfonamide
DAA97264	1-Bromo-3-tert-butylbenzene
FQB75100-01	1- (Bromomethyl) -2-tert-butylbenzene
DAA66323-01	4-Butylbenzene-1,2-diamine
WBA11376-01	5-Butylbenzene-1,3-diol
LCA96095-01	3-tert-Butylbenzene-1,2-diamine
HCA87728-01	2-tert-Butylbenzene-1-sulfonyl chloride
ZTB11594-01	1- (2-Bromoethoxy) -3-tert-butylbenzene

Catalog	Name
465990-01	Sec-Butylbenzene
TRC-H692702-25MG	sec-Butylbenzene-D5
REVOC143N	VOC sec-Butylbenzene Neat - 10MG
OR95406-01	N1, N4-Di-sec-butylbenzene-1,4-diamine
REVOC143	VOC Std sec-Butylbenzene 2000ug/mL in MeOH - 1ML
abx188630	Butylbenzene
S-665	N-Butylbenzene
sc-251138A	Tert-Butylbenzene
TRC-B692695-1G	iso-Butylbenzene