Ethyl 2-amino-5-bromo-3-ethylbenzoate
Basic information
- CAS
34921-62-5- Standard SMILES
CCOC(=O)c1cc(Br)cc(CC)c1N- InChIKey
SAFXLTVQYJESOM-UHFFFAOYSA-N- Molecular formula
- C11H14BrNO2
- Average molar mass
- 272.14 g/mol
- Monoisotopic mass
- 271.02079
Names & identifiers
- Preferred name
- Ethyl 2-amino-5-bromo-3-ethylbenzoate
- IUPAC
- ethyl 2-amino-5-bromo-3-ethylbenzoate
- English name
- 2-Amino-5-bromo-3-ethyl-benzoic acid ethyl ester
- Molecular formula
- C11H14BrNO2
- Molecular weight
- 272.14
Names & synonyms
ethyl 2-amino-5-bromo-3-ethylbenzoate34921-62-5RefChem:138569688-837-32-AMINO-5-BROMO-3-ETHYL-BENZOIC ACID ETHYL ESTEREthyl 2-amino-5-bromo-3-ethyl-benzoateSCHEMBL15733499DTXSID501288452JBA92162ethyl2-amino-5-bromo-3-ethylbenzoateAKOS017547703CS-0238422
Show more names
Benzoic acid, 2-amino-5-bromo-3-ethyl-, ethyl ester
EN300-195111Z1436097946
Database identifiers
- CAS
34921-62-5- PubChem CID
- 4422286
- DTXSID
DTXSID501288452- EC Number
- 688-837-3
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 343.9 · 343.9±42.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- pka
- 1.54 · 1.54±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…