Basic information
- CAS
89694-45-1- Standard SMILES
COc1ccc(Br)cc1B(O)O- InChIKey
FVRLSHRAYPFXRQ-UHFFFAOYSA-N- Molecular formula
- C7H8BBrO3
- Average molar mass
- 230.85 g/mol
- Monoisotopic mass
- 229.97499
Names & identifiers
- Preferred name
- 5-Bromo-2-methoxyphenylboronic acid
- IUPAC
- (5-bromo-2-methoxyphenyl)boronic acid
- English name
- 5-BROMO-2-METHOXYPHENYLBORONIC ACID
- Molecular formula
- C7H8BBrO3
- Molecular weight
- 230.85
Names & synonyms
5-Bromo-2-methoxyphenylboronic acid89694-45-1DTXSID204040065-Bromo-2-methoxyphenylboronic Acid (contains varying amounts of Anhydride)RefChem:533309DTXCID70354860627-323-5(5-bromo-2-methoxyphenyl)boronic acidMFCD000934095-BROMO-2-METHOXYBENZENEBORONIC ACID5-BROMO-2-METHOXYPHENYLBORONICACID(5-Bromo-2-methoxy)benzeneboronic acid
Show more names
RARECHEM AH PB 00454-Bromoanisole-2-boronic acid2-bromo-5-methoxypyridin-4-ylboronic acidBoronic acid,B-(5-broMo-2-Methoxyphenyl)-5-Bromo-2-methoxyphenylboronic acid - [B1820]
(5-bromo-2-methoxy-phenyl)boronic Acid3-BROMO-6-METHOXYPHENYLBORONIC ACIDBoronic acid, (5-bromo-2-methoxyphenyl)-SCHEMBL1235272FVRLSHRAYPFXRQ-UHFFFAOYSA-N(5-Bromo-2-methoxyphenyl)boronicacid5-bromo-2-methoxy-phenylboronic acid5-bromo-2-methyloxyphenylboronic acid
Database identifiers
- CAS
89694-45-1- PubChem CID
- 4532730
- DTXSID
DTXSID20404006- EC Number
- 627-323-5
- Nikkaji
- J2.617.190C
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 130 · 130-135 °C(lit.)
- Boiling point
- 378 ℃ · 378℃
- Density
- 1.61 · 1.61
- Flash point
- 183 ℃ · 183℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 7.58 · 7.58±0.58(Predicted)
- form
- Crystalline Powder
- color
- White to off-white
- InChI
- 1S/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
- InChIKey
- FVRLSHRAYPFXRQ-UHFFFAOYSA-N
- SMILES
- COc1ccc(Br)cc1B(O)O
- CAS DataBase Reference
- 89694 · 89694-45-1(CAS DataBase Reference)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29310099
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usessuzuki reaction
UsesReactant for:Tweezers-like aromatic molecules with luminescent propertiesSuzuki-Miyaura cross-coupling reactions
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
8 records
Compound notes
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