CAS 835882-35-4 Cyclohepten-1-ylboronic acid (HCID 3434501)

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Basic information

CAS: 835882-35-4
Standard SMILES: OB(O)C1=CCCCCC1
InChIKey: MMOVERLKAAQVGD-UHFFFAOYSA-N
Molecular formula: C7H13BO2
Average molar mass: 139.99 g/mol
Monoisotopic mass: 140.10086006

Names & identifiers

Preferred name: Cyclohepten-1-ylboronic acid
IUPAC: cyclohepten-1-ylboronic acid
English name: CYCLOHEPTEN-1-YLBORONIC ACID
Molecular formula: C7H13BO2
Molecular weight: 139.99

Names & synonyms

835882-35-4Cyclohepten-1-ylboronic acidcyclohept-1-en-1-ylboronic acidMFCD041156551-CYCLOHEPTEN-1-YLBORONIC ACID1-Cyclohepten-1-yl-boronic acidBoronic acid, 1-cyclohepten-1-yl-cyclohept-1-enylboronic acid(Z)-cycloheptenylboronic acidcyclohepten-1-yl boronic acidcycloheptene-1-yl boronic acidcyclohept-1-en-1-ylboronicacid

Show more names

1-Boronocyclohept-1-ene1-cycloheptenylboronic acidCycloheptene-1-boronic acid, 97%(Z)-cyclohept-1-en-1-ylboronic acidBoronic acid, B-1-cyclohepten-1-yl-Cyclohepten-1-ylboronic acid (contains varying amounts of Anhydride)

SCHEMBL1854104(Cyclohepten-1-yl)boronic acidDTXSID90392446MMOVERLKAAQVGD-UHFFFAOYSA-N(Cyclohept-1-en-1-yl)boronic acidAKOS006227627AB20339AT23172

Database identifiers

CAS: 835882-35-4
PubChem CID: 3434501
DTXSID: DTXSID90392446

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 132

Physicochemical properties

Melting point: 110 · 110-116°C
Boiling point: 278.1 · 278.1±33.0 °C(Predicted)
Density: 1.02 · 1.02±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.43 · 9.43±0.20(Predicted)
CAS DataBase Reference: 835882 · 835882-35-4
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
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2931900090 · 2931900090

Safety & regulation

Safety data

hs_code: 2931900090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

UsesCyclohepten-1-ylboronic Acid is a useful reagent in preparation of substituted quinoline derivatives using cyclocondenstaino of acylaryl amines with heteroarylacetic acids as key steps.