Basic information
- CAS
1250443-19-6- Standard SMILES
O=C(O)Cc1c(F)ccc(Br)c1F- InChIKey
HGSULWSXEZBTAW-UHFFFAOYSA-N- Molecular formula
- C8H5BrF2O2
- Average molar mass
- 251.02 g/mol
- Monoisotopic mass
- 249.9441
Names & identifiers
- Preferred name
- 2-(3-Bromo-2,6-difluorophenyl)acetic acid
- IUPAC
- 2-(3-bromo-2,6-difluorophenyl)acetic acid
- English name
- 2-(3-bromo-2,6-difluorophenyl)acetic acid
- Molecular formula
- C8H5BrF2O2
- Molecular weight
- 251.02
Names & synonyms
2-(3-bromo-2,6-difluorophenyl)acetic acid1250443-19-6RefChem:455168847-198-23-Bromo-2,6-difluorophenylacetic acidMFCD16987590AAC44319AKOS0231183532-(3-bromo-2,6-difluorophenyl)aceticacid2-(3-bromo-2,6-difluoro-phenyl)acetic acidEN300-201743G89526
Show more names
Benzeneacetic acid, 3-bromo-2,6-difluoro-
Z1269116160
Database identifiers
- CAS
1250443-19-6- PubChem CID
- 83402829
- EC Number
- 847-198-2
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 307.7 · 307.7±37.0 °C(Predicted)
- Density
- 1.774 · 1.774±0.06 g/cm3(Predicted)
- pka
- 3.56 · 3.56±0.10(Predicted)
- 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
- HS Code
- 2916399090 · 2916399090
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
- hs_code
- 2916399090
- 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
Suppliers10 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
温州共赢化学有限公司0577-64498589 15325081899 · [email protected]
常州安赛普化工有限公司0519-86305871 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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