Basic information
- CAS
7099-87-8- Standard SMILES
O=C(O)C(=O)c1ccc(Br)cc1- InChIKey
UASZGGQRDGLTIQ-UHFFFAOYSA-N- Molecular formula
- C8H5BrO3
- Average molar mass
- 229.03 g/mol
- Monoisotopic mass
- 227.94221
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoacetic acid
- IUPAC
- 2-(4-bromophenyl)-2-oxoacetic acid
- English name
- 2-(4-Bromophenyl)-2-oxoacetic acid
- Molecular formula
- C8H5BrO3
- Molecular weight
- 229.03
Names & synonyms
2-(4-bromophenyl)-2-oxoacetic acid7099-87-8DTXSID40345346RefChem:251999DTXCID40296420837-671-1MFCD076986952-(4-Bromophenyl)-2-oxoaceticacid4-Bromobenzoylformic acidSCHEMBL3500800AKOS009312824DS-5387
Show more names
4-Bromophenylglyoxylic acidBenzeneacetic acid, 4-bromo-α-oxo-
CS-0157610EN300-77244Z381360898(4-Bromophenyl)(oxo)acetic acidFT-0715703(4-Bromophenyl)(oxo)acetHAA09987(4-Bromophenyl)(oxo)acetic acid #
Database identifiers
- CAS
7099-87-8- PubChem CID
- 603899
- DTXSID
DTXSID40345346- EC Number
- 837-671-1
- Nikkaji
- J1.256.258F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Melting point
- 89 °C · 89 °C
- Boiling point
- 152 · 152-155 °C(Press: 3 Torr)
- Density
- 1.738 · 1.738±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.03 · 2.03±0.54(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H315
- 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)
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
- H335-H319-H302-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers49 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海摩睿化学科技有限公司13382110328 15255501563 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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