Basic information
- CAS
51323-43-4- Standard SMILES
OB(O)c1cccc(CBr)c1- InChIKey
ATRFDLFMCLYROQ-UHFFFAOYSA-N- Molecular formula
- C7H8BBrO2
- Average molar mass
- 214.85 g/mol
- Monoisotopic mass
- 213.980072
Names & identifiers
- Preferred name
- 3-(Bromomethyl)benzeneboronic acid
- IUPAC
- [3-(bromomethyl)phenyl]boronic acid
- English name
- 3-Bromomethylphenylboronic acid
- Molecular formula
- C7H8BBrO2
- Molecular weight
- 214.85
Names & synonyms
3-(Bromomethyl)phenylboronic acid3-(Bromomethyl)benzeneboronic acidRefChem:494469626-228-63-Bromomethylphenylboronic acid51323-43-4[3-(bromomethyl)phenyl]boronic Acid(3-(bromomethyl)phenyl)boronic acidMFCD016322073-Bromomethyl phenylboronic AcidBoronic acid, [3-(bromomethyl)phenyl]-M-(BROMOMETHYL)PHENYLBORONIC ACID
Show more names
RARECHEM AH PB 00623-boronobenzyl bromide3-Bromomethylphenylboronic3-BROMOMETHYLPHENYLBORONIC ACID 96%Boronic acid,B-[3-(broMoMethyl)phenyl]-3-Boronobenzyl bromide~3-(Bromomethyl)phenylboronic acidBrCH2(C6H4)B(OH)2
3-BromomethylphenylboronicacidSCHEMBL723106DTXSID60378333ATRFDLFMCLYROQ-UHFFFAOYSA-N3-Bromo-methylbenzene boronic acid3-(bromomethyl)phenyl boronic acidSBB070791AKOS005254510
Database identifiers
- CAS
51323-43-4- PubChem CID
- 2773281
- DTXSID
DTXSID60378333- EC Number
- 626-228-6
- Nikkaji
- J2.208.687A
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 214 · 214-216°C
- Boiling point
- 359.1 · 359.1±44.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Methanol
- form
- Crystalline Powder
- pka
- 8.11 · 8.11±0.10(Predicted)
- color
- White to tan
- BRN
- 3246618 · 3246618
- InChI
- 1S/C7H8BBrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,10-11H,5H2
- InChIKey
- ATRFDLFMCLYROQ-UHFFFAOYSA-N
- SMILES
- OB(O)c1cccc(CBr)c1
- CAS DataBase Reference
- 51323 · 51323-43-4(CAS DataBase Reference)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H314 (14.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (14.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 3261
- hs_code
- 29319090
- risk_code
- 34-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45-36
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
Chemistry & industry
Applications
Usessuzuki reaction
General DescriptionMay contain varying amounts of anhydride
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
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]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
12 records
Compound notes
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