CAS 480996-05-2 4'-Bromo-4-biphenylboronic Acid (contains varying amounts of Anhydride) (HCID 3841607)

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Basic information

CAS: 480996-05-2
Standard SMILES: OB(O)c1ccc(-c2ccc(Br)cc2)cc1
InChIKey: HQAGDFJHKPSZHT-UHFFFAOYSA-N
Molecular formula: C12H10BBrO2
Average molar mass: 276.92 g/mol
Monoisotopic mass: 275.99572206

Names & identifiers

Preferred name: 4'-Bromo-4-biphenylboronic Acid (contains varying amounts of Anhydride)
IUPAC: [4-(4-bromophenyl)phenyl]boronic acid
English name: 4'-Bromo-4-biphenylboronic acid
Molecular formula: C12H10BBrO2
Molecular weight: 276.92

Names & synonyms

4'-Bromo-4-biphenylboronic Acid (contains varying amounts of Anhydride)RefChem:506004678-208-14'-Bromo-4-biphenylboronic Acid480996-05-2[4-(4-bromophenyl)phenyl]boronic Acid4-Bromobiphenyl-4'-boronic acidMFCD022516524-(4-Bromophenyl)phenylboronic Acid4'-bromobiphenyl-4-boronic acidAKOS003618194CS-W000942

Show more names

4'-Bromo-[1,1'-biphenyl]-4-boronic acid4'-Bromo-4-biphenyLamounts of Anhydride)4-Bromobiphenyl-4'4'-Bromo-4-Benzoborate4-Bromobiphenylboronic acidboronic Acid (contains varying(4'-Bromo-4-biphenylyl)boronic acid

Boronic acid, (4'-bromo[1,1'-biphenyl]-4-yl)-FT-0718225(4'-bromo-[1,1'-biphenyl]-4-yl)boronic acidSCHEMBL2978874'-Bromo-4-biphenylboronicAcidDTXSID903971734-(4-Bromophenyl)benzeneboronic AcidAB11617

Database identifiers

CAS

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 209

Physicochemical properties

Boiling point: 430.3 · 430.3±47.0 °C(Predicted)
Density: 1.53 · 1.53±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: soluble in Tetrahydrofuran
pka: 8.54 · 8.54±0.16(Predicted)
form: powder
color: white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37
TSCA: No
HS Code: 2931900090 · 2931900090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 2 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 CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: No
hs_code: 2931900090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313