Basic information
- CAS
849052-21-7- Standard SMILES
CC(C)COc1cccc(B(O)O)c1- InChIKey
TZOSYEUNKIDTBY-UHFFFAOYSA-N- Molecular formula
- C10H15BO3
- Average molar mass
- 194.04 g/mol
- Monoisotopic mass
- 194.1114245
Names & identifiers
- Preferred name
- B-[3-(2-Methylpropoxy)phenyl]boronic acid
- IUPAC
- [3-(2-methylpropoxy)phenyl]boronic acid
- English name
- 3-Isobutoxyphenylboronic acid
- Molecular formula
- C10H15BO3
- Molecular weight
- 194.04
Names & synonyms
849052-21-7B-(3-(2-Methylpropoxy)phenyl)boronic acidB-[3-(2-Methylpropoxy)phenyl]boronic acidRefChem:3205413-Isobutoxyphenylboronic acid(3-Isobutoxyphenyl)boronic acid[3-(2-METHYLPROPOXY)PHENYL]BORONIC ACIDMFCD064113703-Isobutoxyphenylboronicacidm-isobutoxyphenylboronic acidSCHEMBL6919753-isobutoxyphenyl boronic acid
Show more names
3-Isobutoxyphenylboronic acid ,97%Boronic acid, B-[3-(2-methylpropoxy)phenyl]-
DTXSID50584582TZOSYEUNKIDTBY-UHFFFAOYSA-NAKOS009319104AB25286BP-12149BS-24185DB-010601CS-0174516
Database identifiers
- CAS
849052-21-7- PubChem CID
- 16217826
- DTXSID
DTXSID50584582- Nikkaji
- J3.609.042A
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 90 · 90-95 °C(lit.)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- 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.
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
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers22 total
安徽合诺生物科技有限公司0555-2761852
Aladdin Scientific[email protected]
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]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
Related reactions
4 records
Compound notes
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