4-Methoxybenzyl 2-bromoacetate

HCID 13233234CAS 63353-51-5
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(COC(=O)CBr)cc1
InChIKey
VTVNOEAMXCXKGD-UHFFFAOYSA-N
Molecular formula
C10H11BrO3
Average molar mass
259.1 g/mol
Monoisotopic mass
257.98915631

Names & identifiers

Preferred name
4-Methoxybenzyl 2-bromoacetate
IUPAC
(4-methoxyphenyl)methyl 2-bromoacetate
English name
4-methoxybenzyl 2-bromoacetate
Molecular formula
C10H11BrO3
Molecular weight
259.1

Names & synonyms

4-Methoxybenzyl 2-bromoacetate63353-51-5(4-methoxyphenyl)methyl 2-bromoacetateAcetic acid, bromo-, (4-methoxyphenyl)methyl ester(4-Methoxyphenyl)methyl bromoacetatep-methoxybenzyl bromoacetate4-methoxybenzyl bromoacetate4 -methoxybenzyl bromoacetateSCHEMBL2679069DTXSID60530616VTVNOEAMXCXKGD-UHFFFAOYSA-NG90126
Show more names
Acetic acid, 2-bromo-, (4-methoxyphenyl)methyl ester

Database identifiers

CAS
63353-51-5
PubChem CID
13233234
DTXSID
DTXSID60530616
Nikkaji
J2.109.710A

Properties

Computed structural properties

XLogP
3
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
14

Physicochemical properties

Boiling point
314 · 314.0±22.0 °C(Predicted)
Density
1.444 · 1.444±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

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

Chemistry & industry

Suppliers12 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
九江市尤利特医药科技有限公司792-3901125 13222993784 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]

Related reactions

16 records
New reaction record

Linked notes

Loading…