Butyl Methanesulfonate

CAT: 0572-TRC-B694095-1GSize: 1 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-B694095-1GSize:1 g

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CAS Number

1912-32-9

Synonyms

Methanesulfonic acid butyl ester; Butyl mesylate; Butyl methanesulfonate; Methanesulfonic acid n-butyl ester; NSC 36060; n-Butyl methanesulfonate

Hazard Statement

Causes skin irritation

Purity

>95% (GC)

Smiles

CCCCOS(=O)(=O)C

Molecular Formula

C5 H12 O3 S

Molecular Weight

152.21

InChI

InChI=1S/C5H12O3S/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3

Additionnal Information

IUPAC name: butyl methanesulfonate

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Butyl methanesulfonate

CAS Number	1912-32-9
PubChem CID	15953
IUPAC Name	butyl methanesulfonate
Molecular Formula	C5H12O3S
Molecular Weight	152.21
XLogP	0.9
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	142

SMILES

CCCCOS(=O)(=O)C

InChI

InChI=1S/C5H12O3S/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3

InChIKey

LFLBHTZRLVHUQC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1912-32-9

CID: 15953

Formula: C5H12O3S

MW: 152.21

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	152.21
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	152.05071541
Monoisotopic Mass	152.05071541
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	142
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

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Catalog	Name
443658-01	Butyl Methanesulfonate
HY-W017796R	Butyl methanesulfonate (Standard)
OR921213-01	Sec-butyl methanesulfonate
BAA91232-01	N-Butyl methanesulfonate
RG-T051805-01	Tert-Butyl Methanesulfonate
IL-0061-HP-BULK	1-Butyl-3-methylimidazolium methanesulfonate
AR-B02307-01	4- ((Methylsulfinyl) oxy) butyl methanesulfonate
422733-01	3- (4- (2-Butyl-5-methylsulfonamido) benzofuran-3-carbonyl) phenoxy) propyl Methanesulfonate
OR1044365-01	Rel-tert-Butyl (3aR,5s,6aS) -5- (methylamino) hexahydrocyclopenta[c]pyrrole-2 (1H) -carboxylate methanesulfonate
OR1039572-01	8-tert-Butyl 3-ethyl 2,8-diazaspiro[4.5]decane-3,8-dicarboxylate methanesulfonate

Butyl Methanesulfonate

Chemical Information

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