Basic information
- CAS
870778-90-8- Standard SMILES
OB(O)c1cccc(OCc2ccc(Cl)cc2)c1- InChIKey
TYILTVKJHDWCKU-UHFFFAOYSA-N- Molecular formula
- C13H12BClO3
- Average molar mass
- 262.5 g/mol
- Monoisotopic mass
- 262.0568021
Names & identifiers
- Preferred name
- 3-(4'-Chlorobenzyloxy)phenylboronic acid
- IUPAC
- [3-[(4-chlorophenyl)methoxy]phenyl]boronic acid
- English name
- 3-(4'-Chlorobenzyloxy)phenylboronic acid
- Molecular formula
- C13H12BClO3
- Molecular weight
- 262.5
Names & synonyms
3-(4'-Chlorobenzyloxy)phenylboronic acidRefChem:492226623-439-5870778-90-8(3-((4-Chlorobenzyl)oxy)phenyl)boronic acidMFCD07369737[3-[(4-chlorophenyl)methoxy]phenyl]boronic acid{3-[(4-Chlorophenyl)methoxy]phenyl}boronic acidSCHEMBL23988DTXSID40584632AKOS009317518AB32193
Show more names
Boronic acid, B-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(4′-Chlorobenzyloxy)phenylboronic acid, CAS 870778-90-8
BS-229903-(4''-Chlorobenzyloxy)phenylboronic Acid(3-((4-Chlorobenzyl)oxy)phenyl)boronicacidCS-0174213D86485
Database identifiers
- CAS
870778-90-8- PubChem CID
- 16217896
- DTXSID
DTXSID40584632- EC Number
- 623-439-5
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H413
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HS Code
- 2931900090 · 2931900090
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, P273, 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 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2931900090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335-H413
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-(4''-Chlorobenzyloxy)phenylboronic acid
Suppliers17 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
上海贤鼎生物科技有限公司4009209199 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
硼诺科技（北京）有限公司010-15313962280 15313962280 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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