CAS 6336-45-4 Dibutyl Vinylboronate (stabilized with Phenothiazine) (HCID 236543)

Substructure search Find similar structures

Basic information

CAS: 6336-45-4
Standard SMILES: C=CB(OCCCC)OCCCC
InChIKey: JQKJEPJLCSCBGW-UHFFFAOYSA-N
Molecular formula: C10H21BO2
Average molar mass: 184.09 g/mol
Monoisotopic mass: 184.16346031

Names & identifiers

Preferred name: Dibutyl Vinylboronate (stabilized with Phenothiazine)
IUPAC: dibutoxy(ethenyl)borane
English name: Vinylboronic acid dibutyl ester
Molecular formula: C10H21BO2
Molecular weight: 184.08

Names & synonyms

Dibutyl Vinylboronate (stabilized with Phenothiazine)RefChem:586535663-504-5Vinylboronic acid dibutyl ester6336-45-4dibutyl vinylboronatedibutoxy(ethenyl)boraneDibutoxyvinylboraneBoronic acid, ethenyl-, dibutyl esterMFCD00050049vinylboronic acid dibutylestervinyl-boronic acid di-butyl ester

Show more names

VINYLBORONIC ACID DIBUTYL ESTER 97Vinylboronic acid dibutyl ester 97%Boronic acid, B-ethenyl-, dibutyl esterDibutylVinylboronate(stabilizedwithPhenothiazine)>Dibutyl Vinylboronate (stabilized with Phenothiazine)Vinylboronic Acid Dibutyl Ester (stabilized with Phenothiazine)

Vinylboronic acid dibutyl ester, 97%AB02106dibutyl ethenylboronate10.14272/JQKJEPJLCSCBGW-UHFFFAOYSA-NEtheneboronic acid, dibutyl esterdi-n-butyl vinylboronateDIBUTOXY(VINYL)BORANESCHEMBL403419

Database identifiers

CAS: 6336-45-4
PubChem CID

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 9
Heavy atoms: 13
Formal charge: 0
Complexity: 107

Physicochemical properties

Boiling point: 35 · 35-40 °C/0.1 atm (lit.)
Density: 0.835 g/mL · 0.835 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.4180(lit.)
Flash point: 153 °F · 153 °F
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Almost colorless
InChI: 1S/C10H21BO2/c1-4-7-9-12-11(6-3)13-10-8-5-2/h6H,3-5,7-10H2,1-2H3
InChIKey: JQKJEPJLCSCBGW-UHFFFAOYSA-N
SMILES: CCCCOB(OCCCC)C=C
UNSPSC Code: 12352103 · 12352103
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 315 · H315-H317-H319-H335-H411
Precautionary statements: 261 · P261-P264-P273-P280-P302+P352-P305+P351+P338

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 40 reports by companies from 3 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

wgk: -
ridadr: NA 1993 / PGIII
hs_code: 2931900090
risk_code: 36/37/38-43
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xi
safety_code: 26-36/37
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H317-H319-H335-H411
Hazard Classifications: Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P261-P264-P273-P280-P302+P352-P305+P351+P338