CAS 269410-28-8 Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetate (HCID 3464653)

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Basic information

CAS: 269410-28-8
Standard SMILES: CCOC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: IWVRBFCAALMWBP-UHFFFAOYSA-N
Molecular formula: C16H23BO5
Average molar mass: 306.2 g/mol
Monoisotopic mass: 306.16385424

Names & identifiers

Preferred name: Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetate
IUPAC: ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate
English name: 4-(ETHOXYCARBONYL)METHOXYPHENYLBORONIC ACID
Molecular formula: C16H23BO5
Molecular weight: 306.16

Names & synonyms

269410-28-8Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetate4-(2-Ethoxy-2-oxoethoxy)phenylboronic acid, pinacol esterEthyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetateMFCD066578864-(Ethoxycarbonyl)methoxyphenylboronic acidAKOS015960121AB257264-(2-Ethoxy-2-oxoethoxy)phenylboronic acid pinacol ester4-(ETHOXYCARBONYL)METHOXYPHENYLBORONIC ACID, PINACOL ESTEREthyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetateethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetate

Show more names

ETHYLPHENOXYACETATE-4-BORONC ACID PINACOL ESTERETHYLPHENOXYACETATE-4-BORONIC ACID PINACOL ESTER4-(2-Ethoxy-2-oxoethoxy)phenylboronic acid,pinacol ester[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-acetic acid ethyl esterAcetic acid, 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-, ethyl ester

SCHEMBL473933DTXSID50392725BS-25355SY333941CS-0174555F87672F2131824-(2-ethoxy-2-oxoethoxy)phenylboronic acid, pinacol ester, AldrichCPR

Properties

Computed structural properties

Topological polar surface area: 54 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 372

Physicochemical properties

storage temp.: 2 · 2-8°C
form: solid
InChI: 1S/C16H23BO5/c1-6-19-14(18)11-20-13-9-7-12(8-10-13)17-21-15(2,3)16(4,5)22-17/h7-10H,6,11H2,1-5H3
InChIKey: IWVRBFCAALMWBP-UHFFFAOYSA-N
SMILES: B2(OC(C(O2)(C)C)(C)C)c1ccc(cc1)OCC(=O)OCC
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
WGK Germany: 3 · 3
HS Code: 2931900090 · 2931900090
Storage Class: 11 · 11 - Combustible Solids