Basic information
- CAS
480438-55-9- Standard SMILES
CCCCOc1ccc(B(O)O)cc1Cl- InChIKey
AOKJNAVCTPBFPJ-UHFFFAOYSA-N- Molecular formula
- C10H14BClO3
- Average molar mass
- 228.48 g/mol
- Monoisotopic mass
- 228.0724522
Names & identifiers
- Preferred name
- 4-Butoxy-3-chlorophenylboronic acid
- IUPAC
- (4-butoxy-3-chlorophenyl)boronic acid
- English name
- 4-Butoxy-3-chlorophenylboronic acid
- Molecular formula
- C10H14BClO3
- Molecular weight
- 228.48
Names & synonyms
4-Butoxy-3-chlorophenylboronic acid480438-55-9(4-butoxy-3-chlorophenyl)boronic acidMFCD04974064SCHEMBL257737DTXSID50409524(4-butoxy-3-chlorophenyl)boronicacidAKOS004114016CS-W000941AB21453BP-12103DS-18082
Show more names
(4-Butoxy-3-chL1-(2-chlorophenoxy)butan-2-ylboronic acidBoronic acid, B-(4-butoxy-3-chlorophenyl)-Boronic acid, (4-butoxy-3-chlorophenyl)- (9CI)
AMY29935(4-butoxy-3-chloro-phenyl)boronic AcidDA-05550SY110344F2287034-Butoxy-3-chlorophenylboronic acid(contains varying amounts of Anhydride)
Database identifiers
- CAS
480438-55-9- PubChem CID
- 5201211
- DTXSID
DTXSID50409524
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 147 · 147-151 °C (lit.)
- Boiling point
- 376.1 · 376.1±52.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 7.69 · 7.69±0.17(Predicted)
- UNSPSC Code
- 12352103 · 12352103
- 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
Chemistry & industry
Suppliers41 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [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]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Related reactions
1 records
Compound notes
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