2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (HCID 2734652)

Names & identifiers

Preferred name: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
English name: 2-Aminophenylboronic acid pinacol ester
Molecular formula: C12H18BNO2
Molecular weight: 219.09

Names & synonyms

191171-55-82-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)anilineDTXSID50370422RefChem:84285DTXCID30321457626-344-72-Aminophenylboronic acid pinacol esterMFCD021794482-aminophenylboronic acid, pinacol ester2-(tetramethyl-1,3,2-dioxaborolan-2-yl)anilineBenzenamine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-aminobenzeneboronic acid pinacol ester

Show more names

an-2-yLCAS:191171-55-8-1,3,2-dioxaboroL2-(4,4,5,5-TetramethyL2-Aminophenylboronic A2-DIOXABOROLAN-2-YL)ANILINE2-Aminobenzeneboronic acid pin2-Aminophenylboronic acid picol ester

(2-aminophenyl)boronic acid pinacol esterAKOS005256282AS-3013SY0080612-(2-AMINOPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANEEN300-1951882-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenylamine2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE;2-AMINOPHENYLBORONIC ACID, PINACOL CYCLIC ESTER;2-AMINOPHENYLBORONIC ACID, PINACOL ESTER;2-AMINOBENZENEBORONIC ACID PINACOL ESTER;2-Aminobenzeneboronic acid pinacol cyclic ester;2-Aminophenylboronic a

Database identifiers

CAS: 191171-55-8
PubChem CID: 2734652
DTXSID: DTXSID50370422
EC Number: 626-344-7
Nikkaji: J1.486.110F

Properties

Computed structural properties

Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 252

Physicochemical properties

Melting point: 63 · 63-68 °C (lit.)
Boiling point: 125 °C/1.5mmHg · 125°C/1.5mmHg(lit.)
Density: 1.05 · 1.05±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 3.51 · 3.51±0.10(Predicted)
form: Crystalline Powder
color: Cream
Water Solubility: Insoluble
Sensitive: Air Sensitive
BRN: 8548809 · 8548809
InChI: InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,14H2,1-4H3
InChIKey: ZCJRWQDZPIIYLM-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC=C1B1OC(C)(C)C(C)(C)O1
CAS DataBase Reference: 191171 · 191171-55-8(CAS DataBase Reference)
UNSPSC Code: 12352103 · 12352103
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29310099 · 29310099
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 48 reports by companies from 7 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

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29310099
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesReactant involved in synthesis of:Indolo[3,4-cd][1]benzazepines via Pictet-Spengler-type cyclizationsAntimicrobial amphiphilic aryl peptideomimeticsPyridoquinazolines and benzo[h][1,6]naphthyridines via intramolecular electrophilic substitution reactionsThienopyridine derivativesDihydroquinolonesMethacrylamidophenylboronic acids

UsesReactant involved in synthesis of: Indolo[3,4-cd]benzazepines via Pictet-Spengler-type cyclizations Antimicrobial amphiphilic aryl peptideomimetics Pyridoquinazolines and benzo[h] naphthyridines via intramolecular electrophilic substitution reaction