Basic information
- CAS
352534-79-3- Standard SMILES
O=Cc1ccc(F)c(B(O)O)c1- InChIKey
SQSWYWCEKCVQEA-UHFFFAOYSA-N- Molecular formula
- C7H6BFO3
- Average molar mass
- 167.93 g/mol
- Monoisotopic mass
- 168.03940267
Names & identifiers
- Preferred name
- (2-Fluoro-5-formylphenyl)boronic acid
- IUPAC
- (2-fluoro-5-formylphenyl)boronic acid
- English name
- 2-Fluoro-5-formylphenylboronic acid
- Molecular formula
- C7H6BFO3
- Molecular weight
- 167.93
Names & synonyms
(2-fluoro-5-formylphenyl)boronic acidRefChem:395844672-909-62-Fluoro-5-formylphenylboronic acid352534-79-32-fluoro-5-formylbenzeneboronic acidMFCD03095100(2-fluoro-5-formyl-phenyl)boronic Acid2-Fluoro-5-formylphenyl2-Fluoro-5-formylphenylboronicacid3-BORONO-4-FLUOROBENZALDEHYDESCHEMBL1711479
Show more names
2-Fluoro-5-FormylphenylboronicB-(2-Fluoro-5-formylphenyl)boronic acidBoronic acid,B-(2-fluoro-5-forMylphenyl)-2-Fluoro-5-formylphenylboronic acid - [F2227]
SCHEMBL30987926DTXSID60376834SQSWYWCEKCVQEA-UHFFFAOYSA-NSBB0640822-fluoro-5-formylphenyl boronic acidAKOS006344442AB13486CS-W016044
Database identifiers
- CAS
352534-79-3- PubChem CID
- 2763240
- DTXSID
DTXSID60376834- EC Number
- 672-909-6
Properties
Computed structural properties
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 168 · 168-171°C
- storage temp.
- Store at room temperature
- form
- powder
- color
- White
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C7H6BFO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-4,11-12H
- InChIKey
- SQSWYWCEKCVQEA-UHFFFAOYSA-N
- SMILES
- B(C1=CC(C=O)=CC=C1F)(O)O
- CAS DataBase Reference
- 352534 · 352534-79-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-40-20/21/22-22
- Safety Statements
- 26 · 26-36/37/39-22
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 (86.4%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (86.4%)
Safety data
- hs_code
- 2931900090
- risk_code
- 36/37/38-40-20/21/22-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-22
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers78 total
上海康恩博医药科技有限公司17510465506 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
9 records
Compound notes
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