Methyl 6-bromohexa-2,4-dienoate

HCID 54529347
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Basic information

CAS
51010-88-9
Standard SMILES
COC(=O)C=CC=CCBr
InChIKey
YVJYHTBQRJXDJT-UHFFFAOYSA-N
Molecular formula
C7H9BrO2
Average molar mass
205.05 g/mol
Monoisotopic mass
203.97859163

Names & identifiers

Preferred name
Methyl 6-bromohexa-2,4-dienoate
IUPAC
methyl 6-bromohexa-2,4-dienoate
English name
2,4-Hexadienoic acid, 6-bromo-, methyl ester, (2E,4E)-
Molecular formula
C7H9BrO2
Molecular weight
205.05

Names & synonyms

Methyl 6-bromohexa-2,4-dienoateSCHEMBL3195050DTXSID20711984YVJYHTBQRJXDJT-UHFFFAOYSA-N6-Bromohexa-2,4-dienoic acid methyl ester6-bromo-hexa-2,4-dienoic acid methyl ester(2E,4E)-Methyl 6-bromohexa-2,4-dienoate2,4-Hexadienoic acid, 6-bromo-, methyl ester, (2E,4E)-

Database identifiers

CAS
51010-88-9
PubChem CID
54529347
DTXSID
DTXSID20711984

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
10

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P280-P301+P312-P302+P352-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Suppliers5 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

13 records
New reaction record

Compound notes

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