Basic information
- CAS
29270-33-5- Standard SMILES
O=C(O)C(Br)c1ccc(F)cc1- InChIKey
ATILMAUMZRFROS-UHFFFAOYSA-N- Molecular formula
- C8H6BrFO2
- Average molar mass
- 233.03 g/mol
- Monoisotopic mass
- 231.95351975
Names & identifiers
- Preferred name
- Bromo(4-fluorophenyl)acetic acid
- IUPAC
- 2-bromo-2-(4-fluorophenyl)acetic acid
- English name
- alpha-Bromo-4-fluorophenylacetic acid 9
- Molecular formula
- C8H6BrFO2
- Molecular weight
- 233.03
Names & synonyms
Bromo(4-fluorophenyl)acetic acidDTXSID60584533RefChem:1080177DTXCID7053529829270-33-52-bromo-2-(4-fluorophenyl)acetic acidalpha-Bromo-4-fluorophenylacetic acidMFCD08276759Benzeneacetic acid, alpha-bromo-4-fluoro-2-bromo-2-(4-fluorophenyl)aceticacidAKOS026732159alpha-Bromo-(4-fluorophenyl)acetic acid
Show more names
α-bromo-4-fluorophenylacetic acidα-BroMo-4-fluorophenylacetic acidBenzeneacetic acid, α-bromo-4-fluoro-Benzeneacetic acid, a-bromo-4-fluoro-alpha-Bromo-4-fluorophenylacetic acid 9α-Bromo-4-fluorophenylacetic acid, CAS 29270-33-5ALPHA-BROMO-(4-FLUOROPHENYL) ACETIC ACID, METHYL ESTERALPHA-BROMO-4-FLUOROPHENYLACETIC ACID 9 ISO 9001：2015 REACH
Benzeneacetic acid, |A-bromo-4-fluoro-alpha-Bromo-4-fluorophenylacetic acid, 97%CS-0204625A-bromo-4-fluoro-alpha -Bromo-4-fluorophenylacetic acidSCHEMBL2119ATILMAUMZRFROS-UHFFFAOYSA-Na-Bromo-4-fluorobenzeneacetic acid
Database identifiers
- CAS
29270-33-5- PubChem CID
- 16217752
- DTXSID
DTXSID60584533- EC Number
- 627-468-4
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 96 · 96-100 °C
- Boiling point
- 288.2 · 288.2±25.0 °C(Predicted)
- Density
- 1.725 · 1.725±0.06 g/cm3(Predicted)
- pka
- 2.37 · 2.37±0.10(Predicted)
- form
- Powder
- color
- White to brown
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P405-P501a
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3261 8/PG 3
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Hazard statements
- H318-H314
- Precautionary statements
- P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P405-P501a
Chemistry & industry
Suppliers22 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Related reactions
15 records
Compound notes
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