Basic information
- CAS
139911-29-8- Standard SMILES
Cc1cc(F)ccc1B(O)O- InChIKey
IQMLIVUHMSIOQP-UHFFFAOYSA-N- Molecular formula
- C7H8BFO2
- Average molar mass
- 153.95 g/mol
- Monoisotopic mass
- 154.06013812
Names & identifiers
- Preferred name
- (4-Fluoro-2-methylphenyl)boronic acid
- IUPAC
- (4-fluoro-2-methylphenyl)boronic acid
- English name
- 4-Fluoro-2-methylphenylboronic acid
- Molecular formula
- C7H8BFO2
- Molecular weight
- 153.95
Names & synonyms
139911-29-8(4-fluoro-2-methylphenyl)boronic acidRefChem:402816642-527-44-Fluoro-2-methylphenylboronic acid2-methyl-4-fluorophenylboronic acid4-Fluoro-2-methylbenzeneboronic AcidMFCD02093072(4-fluoro-2-methyl-phenyl)boronic AcidCHEMBL2258044-Fluoro-2-methylbenzenboronic acid4-fluoro-2-methylphenyl boronic acid
Show more names
4-Fluoro-2-methylphenylboronic acid,97%AKOS BRN-01024-FLUORO-O-TOLYLBORONIC ACID4-Fluoro-2-Methylphenylboronic4-Fluoro-2-methylphenylboronicaci2-methyl-4-fluorobenzeneboronic acid
BORONIC ACID, (4-FLUORO-2-METHYLPHENYL)-SCHEMBL408067orb2940044SCHEMBL29426963DTXSID80370435IQMLIVUHMSIOQP-UHFFFAOYSA-N2-methyl-4-fluorophenylboronicacid4-fluoro-2-methyphenylboronic acid
Database identifiers
- CAS
139911-29-8- PubChem CID
- 2734665
- DTXSID
DTXSID80370435- ChEMBL
CHEMBL225804- EC Number
- 642-527-4
- Nikkaji
- J1.649.052K
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Melting point
- 191 · 191-196 °C(lit.)
- Boiling point
- 277.4 · 277.4±50.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly)
- pka
- 8.75 · 8.75±0.58(Predicted)
- form
- Powder
- color
- White to off-white
- InChI
- InChI=1S/C7H8BFO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,10-11H,1H3
- InChIKey
- IQMLIVUHMSIOQP-UHFFFAOYSA-N
- SMILES
- B(C1=CC=C(F)C=C1C)(O)O
- CAS DataBase Reference
- 139911 · 139911-29-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29163990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-36/37/39-27
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usessuzuki reaction
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
120 records
Compound notes
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