(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid

HCID 10037535

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Basic information

CAS: 169126-64-1
Standard SMILES: Cc1cc2c(cc1B(O)O)C(C)(C)CCC2(C)C
InChIKey: CHQAGZBOYKWZNW-UHFFFAOYSA-N
Molecular formula: C15H23BO2
Average molar mass: 246.15 g/mol
Monoisotopic mass: 246.17911038

Names & identifiers

Preferred name: (3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid
IUPAC: (3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)boronic acid
English name: 3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-ylboronic acid
Molecular formula: C15H23BO2
Molecular weight: 246.15

Names & synonyms

169126-64-1(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-boronic acid3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalene-2-boronic acid3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-ylboronic acid(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)boronic AcidMFCD08436043Boronic acid, B-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-SCHEMBL5490132DTXSID60434584CHQAGZBOYKWZNW-UHFFFAOYSA-N(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)boronic acid

Show more names

3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-ylboronicacid95%3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-ylboronic acid 95%

AKOS015841902CS-W010237DS-15290SY109980EN300-7367966F091968(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthylboronic acid

Database identifiers

CAS: 169126-64-1
PubChem CID: 10037535
DTXSID: DTXSID60434584
Nikkaji: J781.954D

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 312

Physicochemical properties

Melting point: 198 · 198-201
storage temp.: 2 · Inert atmosphere,2-8°C
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Hazard Note: Irritant/Keep Cold
HS Code: 2931900090 · 2931900090