Basic information
- CAS
900174-65-4- Standard SMILES
CCOc1cc(B(O)O)ccc1F- InChIKey
IGAMLTGCYDPORS-UHFFFAOYSA-N- Molecular formula
- C8H10BFO3
- Average molar mass
- 183.97 g/mol
- Monoisotopic mass
- 184.0707028
Names & identifiers
- Preferred name
- 3-Ethoxy-4-fluorobenzeneboronic acid
- IUPAC
- (3-ethoxy-4-fluorophenyl)boronic acid
- English name
- 3-Ethoxy-4-fluorobenzeneboronic acid
- Molecular formula
- C8H10BFO3
- Molecular weight
- 183.97
Names & synonyms
3-Ethoxy-4-fluorobenzeneboronic acidRefChem:501165807-303-43-ETHOXY-4-FLUOROPHENYLBORONIC ACID900174-65-4(3-ethoxy-4-fluorophenyl)boronic acidMFCD09475831(3-Ethoxy-4-fluoro-phenyl)boronic acid3-Ethoxy-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)3-Ethoxy-4-fluorophenylboronicacidBoronic acid, (3-ethoxy-4-fluorophenyl)-SCHEMBL2850890
Show more names
3-Ethoxy-4-fL5-Borono-2-fluorophenetole3-Ethoxy-4-fluorobenzeneboronic acidyl3-Ethoxy-4-fluorobenzeneboronicacid96%3-Ethoxy-4-fluorobenzeneboronic acid 96%B-(3-Ethoxy-4-Fluorophenyl)-Boronic AcidBoronic acid, B-(3-ethoxy-4-fluorophenyl)-
DTXSID30659388IGAMLTGCYDPORS-UHFFFAOYSA-N3-Ethoxy4-fluorophenylboronic acidSBB071244AKOS006221617DS-13564SY101425DB-010577
Database identifiers
- CAS
900174-65-4- PubChem CID
- 44558174
- DTXSID
DTXSID30659388- EC Number
- 807-303-4
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 328.1 · 328.1±52.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- pka
- 8.23 · 8.23±0.10(Predicted)
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2931900090 · 2931900090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 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 (50%)
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Applications
Usessuzuki reaction
Upstream & downstream products
Upstream raw materials
Suppliers58 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
郑州德元凯化工有限公司
Related reactions
6 records
Compound notes
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