Basic information
- CAS
60783-90-6- Standard SMILES
CCOc1ccc(Br)cc1C(=O)O- InChIKey
ZCFIATVCNUJMDP-UHFFFAOYSA-N- Molecular formula
- C9H9BrO3
- Average molar mass
- 245.07 g/mol
- Monoisotopic mass
- 243.97350625
Names & identifiers
- Preferred name
- 5-Bromo-2-ethoxybenzoic acid
- IUPAC
- 5-bromo-2-ethoxybenzoic acid
- English name
- 5-BROMO-2-ETHOXYBENZOIC ACID
- Molecular formula
- C9H9BrO3
- Molecular weight
- 245.07
Names & synonyms
5-bromo-2-ethoxybenzoic acid60783-90-6DTXSID30410153RefChem:301631DTXCID803610055-bromo-2-ethoxy-benzoic AcidMFCD02729212Benzoic acid, 5-bromo-2-ethoxy-5-bromo-2-ethoxybenzoicacid3-bromo-6-ethoxybenzoic acidSCHEMBL3388835ZCFIATVCNUJMDP-UHFFFAOYSA-N
Show more names
ALBB-008975BBL014094SBB049659STK500996AKOS000112228DA-04459FB119045VS-04176
Database identifiers
- CAS
60783-90-6- PubChem CID
- 5209920
- DTXSID
DTXSID30410153- EC Number
- 103-773-3、126-437-8
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
3 records
Compound notes
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