Basic information
- CAS
1701449-09-3- Standard SMILES
CCOc1c(Cl)cc(B(O)O)cc1OC- InChIKey
WMLDEIMFMBMJHS-UHFFFAOYSA-N- Molecular formula
- C9H12BClO4
- Average molar mass
- 230.45 g/mol
- Monoisotopic mass
- 230.0517167
Names & identifiers
- Preferred name
- 3-Chloro-4-ethoxy-5-methoxyphenylboronic acid
- IUPAC
- (3-chloro-4-ethoxy-5-methoxyphenyl)boronic acid
- English name
- 3-Chloro-4-ethoxy-5-methoxyphenylboronic acid
- Molecular formula
- C9H12BClO4
- Molecular weight
- 230.45
Names & synonyms
3-Chloro-4-ethoxy-5-methoxyphenylboronic acid1701449-09-3(3-chloro-4-ethoxy-5-methoxyphenyl)boronic acidMFCD20441802SCHEMBL16654413BS-31236CS-0178278(3-chloro-4-ethoxy-5-methoxyphenyl)boronicacid(3-chloro-4-ethoxy-5-methoxy-phenyl)boronic acidBoronic acid, B-(3-chloro-4-ethoxy-5-methoxyphenyl)-
Database identifiers
- CAS
1701449-09-3- PubChem CID
- 56776605
Properties
Computed structural properties
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 382.3 · 382.3±52.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 7.51 · 7.51±0.11(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers6 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
上海弘敏医药科技有限公司13651987816 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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