Basic information
- CAS
51901-85-0- Standard SMILES
BrB1Oc2ccccc2O1- InChIKey
SAILTPCYIYNOEL-UHFFFAOYSA-N- Molecular formula
- C6H4BBrO2
- Average molar mass
- 198.81 g/mol
- Monoisotopic mass
- 197.94877
Names & identifiers
- Preferred name
- 2-Bromo-1,3,2-benzodioxaborole
- IUPAC
- 2-bromo-1,3,2-benzodioxaborole
- English name
- 2-BROMO-1,3,2-BENZODIOXABOROLE
- Molecular formula
- C6H4BBrO2
- Molecular weight
- 198.81
Names & synonyms
2-Bromo-1,3,2-benzodioxaboroleDTXSID50393570RefChem:465780DTXCID40344430628-655-351901-85-0B-Bromocatecholborane2-bromo-2H-1,3,2-benzodioxaborole1,3,2-Benzodioxaborole, 2-bromo-Catechol boron bromideo-Phenylene bromoboronateB-Bromocatecholborane [MI]
Show more names
2-broMobenzo[d][1,3,2]dioxaboroleB-Bromocatecholborane>beta-Bromocatecholborane2-bromo-1,3,2-benzodioxaborale
2-Bromo-1,3-2-benzodioxaboroleMFCD00013341VQ20068KEZb-bromocate-cholboraneC6H4BBrO2SCHEMBL325093SCHEMBL29408420SAILTPCYIYNOEL-UHFFFAOYSA-N
Database identifiers
- CAS
51901-85-0- PubChem CID
- 3552384
- DTXSID
DTXSID50393570- UNII
- VQ20068KEZ
- EC Number
- 628-655-3
- Nikkaji
- J510.756C
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 51 · 51-53 °C(lit.)
- Boiling point
- 76 °C9 · 76 °C9 mm Hg(lit.)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- Flash point
- 107 °F · 107 °F
- storage temp.
- 2 · 2-8°C
- solubility
- sol dichloromethane
- form
- powder to lump
- color
- White to Amber to Dark purple
- BRN
- 2445073 · 2445073
- InChI
- 1S/C6H4BBrO2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
- InChIKey
- SAILTPCYIYNOEL-UHFFFAOYSA-N
- SMILES
- Brb1oc2ccccc2o1
- CAS DataBase Reference
- 51901 · 51901-85-0
- FDA UNII
- 20068 KEZ · VQ20068KEZ
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05
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
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 CategoriesFlam. Sol. 2 (100%)
Safety data
- F
- 8-10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2925 4.1/PG 2
- hs_code
- 2931.90.6000
- risk_code
- 14-34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 4.1
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- III
- Hazard statements
- H228-H314
- Hazard Classifications
- Flam. Sol. 1Skin Corr. 1B
Chemistry & industry
Applications
UsesB-Bromocatecholborane is a mild Lewis acid capable of selective cleavage of ether, ester and carbamate protecting groups; catalyst for Diels-Alder reactions.
Preparation methods
PreparationB-Bromocatecholborane can be conveniently prepared by treating Catechol with Boron Tribromide. The reagent is isolated by distillation as a moisture-sensitive, low-melting solid.
Upstream & downstream products
Downstream products
Suppliers47 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
6 records
Compound notes
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