Methyl 5-bromo-2-methoxy-3-methylbenzoate

HCID 2764346
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Basic information

CAS
722497-32-7
Standard SMILES
COC(=O)c1cc(Br)cc(C)c1OC
InChIKey
VZOOZLRJMORZTC-UHFFFAOYSA-N
Molecular formula
C10H11BrO3
Average molar mass
259.1 g/mol
Monoisotopic mass
257.98915631

Names & identifiers

Preferred name
Methyl 5-bromo-2-methoxy-3-methylbenzoate
IUPAC
methyl 5-bromo-2-methoxy-3-methylbenzoate
English name
Methyl 5-bromo-2-methoxy-3-methylbenzenecarboxylate
Molecular formula
C10H11BrO3
Molecular weight
259.1

Names & synonyms

methyl 5-bromo-2-methoxy-3-methylbenzoate722497-32-7methyl 5-bromo-2-methoxy-3-methylbenzenecarboxylateMFCD06659589Benzoic acid,5-bromo-2-methoxy-3-methyl-, methyl estermethyl 5-bromo-2-methoxy-3-methyl-benzoate5-Bromo-2-methoxy-3-methylbenzoateSCHEMBL3599330DTXSID90377415VZOOZLRJMORZTC-UHFFFAOYSA-NSBB102129AKOS005071179
Show more names
METHYL 5-BROMO-2-METHOXY-3-METHYLBENZENECARBOXYLATE（WS203249）
SY422920DB-055618CS-0061261W174287Y-0806F6098352-Methoxy-3-methyl-5-bromobenzoic acid methyl esterMETHYL 5-BROMO-2-METHOXY-3-METHYLBENZENECARBOXYLATEWS203249

Database identifiers

CAS
722497-32-7
PubChem CID
2764346
DTXSID
DTXSID90377415

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Melting point
60 · 60-62°
storage temp.
Store at room temperature
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

hs_code
2918999090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers44 total

上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852

Related reactions

5 records
New reaction record

Compound notes

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