Methyl 15-bromopentadecanoate

HCID 554136CAS 41240-56-6
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)CCCCCCCCCCCCCCBr
InChIKey
BVQSDPDEVQSPMW-UHFFFAOYSA-N
Molecular formula
C16H31BrO2
Average molar mass
335.32 g/mol
Monoisotopic mass
334.15074

Names & identifiers

Preferred name
Methyl 15-bromopentadecanoate
IUPAC
methyl 15-bromopentadecanoate
English name
Pentadecanoic acid, 15-bromo-, methyl ester
Molecular formula
C16H31BrO2
Molecular weight
335.32

Names & synonyms

Methyl 15-bromopentadecanoate41240-56-6Pentadecanoic acid, 15-bromo-, methyl esterMFCD0007894515-Bromopentadecanoic acid methyl esterMethyl15-Bromopentadecanoateorb3176560SCHEMBL8973175methyl 15-bromanylpentadecanoateMethyl 15-bromopentadecanoate #DTXSID90339159AKOS025295307
Show more names
AS-65883SY335942DB-210089CS-0129042D86910F607938

Database identifiers

CAS
41240-56-6
PubChem CID
554136
DTXSID
DTXSID90339159
Nikkaji
J26.269B

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
15
Heavy atoms
19

Physicochemical properties

Melting point
40 °C · 40 °C
Boiling point
186 °C · 186 °C(Press: 2 Torr)
Density
1.084 · 1.084±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers17 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
武汉普世达生物科技有限公司18163336578 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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