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Basic information
- CAS
480438-56-0- Standard SMILES
CC(C)Oc1ccc(B(O)O)cc1Cl- InChIKey
PJBWTULFEPFOEB-UHFFFAOYSA-N- Molecular formula
- C9H12BClO3
- Average molar mass
- 214.457 g/mol
- Monoisotopic mass
- 214.05680232
Names & identifiers
- Preferred name
- 3-Chloro-4-isopropoxyphenylboronic acid
- IUPAC
- {3-Chloro-4-[(propan-2-yl)oxy]phenyl}boronic acid
- English name
- 3-Chloro-4-isopropoxyphenylboronic acid
- Molecular formula
- C9H12BClO3
- Molecular weight
- 214.45
Names & synonyms
3-Chloro-4-isopropoxybenzeneboronic acid[3-chloro-4-(propan-2-yloxy)phenyl]boronic acid3-Chloro-4-(1-methylethyl)oxyphenylboronic acid(3-Chloro-4-isopropoxyphenyl)boronic acid - [C2206]Boronic acid, B-[3-chloro-4-(1-methylethoxy)phenyl]-Boronic acid, [3-chloro-4-(1-methylethoxy)phenyl]- (9CI)
Database identifiers
- CAS
480438-56-0- PubChem CID
- 3382467
- DTXSID
DTXSID40391969- EC Number
- 895-319-2
Properties
Physicochemical properties
- Melting point
- 140 · 140-145 °C(lit.)
- Boiling point
- 357.1 · 357.1±52.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 7.75 · 7.75±0.18(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C9H12BClO3/c1-6(2)14-9-4-3-7(10(12)13)5-8(9)11/h3-6,12-13H,1-2H3
- InChIKey
- PJBWTULFEPFOEB-UHFFFAOYSA-N
- SMILES
- B(C1=CC=C(OC(C)C)C(Cl)=C1)(O)O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesReactant for:• ;Preparation of alkyl- and aryl quinones via silver nitrate-catalyzed coupling with quinones1• ;Rhodium-catalyzed asymmetric arylation of alkenylheterocycles2• ;Stereoselective and regioselective rhodium-catalyzed carbometalation of ynamides3
Suppliers58 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [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]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
Related reactions
11 records
Compound notes
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