CAS 214360-74-4 2-[3-(Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (HCID 2773283)

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Basic information

CAS: 214360-74-4
Standard SMILES: CC1(C)OB(c2cccc(CBr)c2)OC1(C)C
InChIKey: WUIYGXGXVOHAFW-UHFFFAOYSA-N
Molecular formula: C13H18BBrO2
Average molar mass: 297 g/mol
Monoisotopic mass: 296.05832232

Names & identifiers

Preferred name: 2-[3-(Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-[3-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
English name: (3-Bromomethylphenyl)boronic acid pinacol ester
Molecular formula: C13H18BBrO2
Molecular weight: 297

Names & synonyms

214360-74-42-(3-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-[3-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID80378335RefChem:251350DTXCID80329362687-016-7(3-Bromomethylphenyl)boronic acid pinacol ester3-Bromomethylphenylboronic acid, pinacol ester3-(Bromomethyl)phenylboronic acid pinacol esterMFCD021834811,3,2-DIOXABOROLANE, 2-[3-(BROMOMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-

Show more names

(3-bromethylphenyl)boronic acidolester(3-BROMOMETHYLPHENYL)BORONIC ACID PICOL ESTER3-(Bromomethyl)benzeneboronic acid, pinacol esterREF DUPL: 3-(Bromomethyl)phenylboronic acid pinacol ester2-[3-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxa3-(Bromomethyl)phenylboronic acid, pinacol ester - [B1862]1,3,2-Dioxaborolane,2-[3-(bromomethyl)phenyl]-4,4,5,5-tetram...2-[(3-broMoMethyl)phenyl]-4,4,5,5-tetraMethyl-1,3,2-dioxaborolaMe

3-(Bromomethyl)phenylboronic acid, pinacol ester3-(bromomethyl)phenylboronic pinacol ester3-bromomethylphenyl boronic acid pinacol esterCS-W009968AS-2405(3-(BROMOMETHYL)PHENYL)BORONIC ACID PINACOL ESTERZ12684517883-Bromometh

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 265

Physicochemical properties

Melting point: 89 · 89-91°C
Boiling point: 360.9 · 360.9±25.0 °C(Predicted)
Density: 1.26 · 1.26±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: powder
color: white to off-white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 261 · P261-P280-P305+P351+P338-P304+P340-P405-P501A
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
Safety Statements: 26 · 26-37
RIDADR: 3261 · UN3261
TSCA: No
HazardClass: 8 · 8
HS Code: 2931900090 · 2931900090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: No
ridadr: UN3261
hs_code: 2931900090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-37
hazard_class: 8
Hazard statements: H302
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P261-P280-P305+P351+P338-P304+P340-P405-P501A