Basic information
- CAS
56442-35-4- Standard SMILES
CCOC(=O)c1ccc(COc2ccc(Br)cc2)cc1- InChIKey
SQKAMYGIWSHLFC-UHFFFAOYSA-N- Molecular formula
- C16H15BrO3
- Average molar mass
- 335.19 g/mol
- Monoisotopic mass
- 334.02046
Names & identifiers
- Preferred name
- Ethyl 4-((4-bromophenoxy)methyl)benzoate
- IUPAC
- ethyl 4-[(4-bromophenoxy)methyl]benzoate
- English name
- ethyl 4-[(4-bromophenoxy)methyl]benzoate
- Molecular formula
- C16H15BrO3
- Molecular weight
- 335.19
Names & synonyms
ethyl 4-[(4-bromophenoxy)methyl]benzoate56442-35-4Ethyl 4-((4-bromophenoxy)methyl)benzoateRefChem:595163657-233-1CHEMBL3278165AKOS003650666ST012451ST45106041AK-918/43219906Benzoic acid, 4-[(4-bromophenoxy)methyl]-, ethyl ester
Database identifiers
- CAS
56442-35-4- PubChem CID
- 853047
- ChEMBL
CHEMBL3278165- EC Number
- 657-233-1
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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