5,5-Dimethyl-2-(naphthalen-1-yl)-1,3,2-dioxaborinane

HCID 22945154

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Basic information

CAS: 22871-77-8
Standard SMILES: CC1(C)COB(c2cccc3ccccc23)OC1
InChIKey: VWRKQVBSFBSIOI-UHFFFAOYSA-N
Molecular formula: C15H17BO2
Average molar mass: 240.11 g/mol
Monoisotopic mass: 240.13216018

Names & identifiers

Preferred name: 5,5-Dimethyl-2-(naphthalen-1-yl)-1,3,2-dioxaborinane
IUPAC: 5,5-dimethyl-2-naphthalen-1-yl-1,3,2-dioxaborinane
English name: 1-Naphthaleneboronic acid neopentyl glycol cyclic ester
Molecular formula: C15H17BO2
Molecular weight: 240.11

Names & synonyms

22871-77-85,5-dimethyl-2-(naphthalen-1-yl)-1,3,2-dioxaborinaneDTXSID60629150RefChem:298352DTXCID005799031-Naphthaleneboronic acid neopentyl glycol ester1-Naphthaleneboronic Acid Neopentyl Glycol Cyclic Ester5,5-dimethyl-2-naphthalen-1-yl-1,3,2-dioxaborinaneMFCD01318167SCHEMBL22709521-NAPHTHALENEBORONICAKOS024258551

Show more names

1,3,2-Dioxaborinane, 5,5-dimethyl-2-(1-naphthalenyl)-

AB08665AS-3071CS-0153784D83612F6927315,5-dimethyl-2-(1-naphthyl)-1,3,2-dioxaborinane5,5-dimethyl-2-(alpha-naphthyl)-1,3,2-dioxaborinane

Database identifiers

CAS: 22871-77-8
PubChem CID: 22945154
DTXSID: DTXSID60629150
Nikkaji: J1.926.752K

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 282

Physicochemical properties

Melting point: 67 · 67-69°C
Boiling point: 387.6 · 387.6±11.0 °C(Predicted)
Density: 1.08 · 1.08±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
BRN: 3053756 · 3053756
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Safety Statements: 22 · 22-24/25
HS Code: 2931900090 · 2931900090

Safety & regulation

Safety data

hs_code: 2931900090
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501