4,4-Dimethylcyclohexen-1-ylboronic acid

HCID 44119555

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 865869-28-9
Standard SMILES: CC1(C)CC=C(B(O)O)CC1
InChIKey: HWFBGGLUEZIDOE-UHFFFAOYSA-N
Molecular formula: C8H15BO2
Average molar mass: 154.02 g/mol
Monoisotopic mass: 154.1165099

Names & identifiers

Preferred name: 4,4-Dimethylcyclohexen-1-ylboronic acid
IUPAC: (4,4-dimethylcyclohexen-1-yl)boronic acid
English name: 4,4-Dimethylcyclohexen-1-ylboronic acid
Molecular formula: C8H15BO2
Molecular weight: 154.01

Names & synonyms

4,4-Dimethylcyclohexen-1-ylboronic acidRefChem:507439692-487-7865869-28-9(4,4-Dimethylcyclohex-1-en-1-yl)boronic acid(4,4-dimethylcyclohexen-1-yl)boronic acidMFCD073637584,4-DIMETHYL-1-CYCLOHEXEN-1-YLBORONIC ACIDBoronic acid, (4,4-dimethyl-1-cyclohexen-1-yl)-SCHEMBL16437414,4-(DIMETHYLCYCLOHEXEN-1-YL)BENZENEBORONIC ACIDDTXSID30657288

Show more names

(4,4-dimethyl-1-cyclohexenyl)boronic acid4,4-DiMethylcyclohexene-1-boronic acid, 96%4,4-Dimethylcyclohexen-1-ylboronic acid 97%(4,4-Dimethylcyclohex-1-en-1-yl)boronic acid 98%Boronic acid, B-(4,4-dimethyl-1-cyclohexen-1-yl)-

HWFBGGLUEZIDOE-UHFFFAOYSA-N1-Borono-4,4-dimethylcyclohex-1-eneAKOS006222940AB30703PS-97854,4-dimethyl-cyclohex-1-enylboronic acid4,4-dimethylcyclohexen-1-yl boronic acidSY284935

Database identifiers

CAS: 865869-28-9
PubChem CID: 44119555
DTXSID: DTXSID30657288
EC Number: 692-487-7

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 173

Physicochemical properties

Melting point: 152 · 152-154
Boiling point: 264.1 · 264.1±33.0 °C(Predicted)
Density: 1 · 1.00±0.1 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
pka: 9.43 · 9.43±0.40(Predicted)
form: solid
color: white
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: -20 C · Irritant/Store below -20C
HS Code: 2931900090 · 2931900090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.