2-Norbornyl bromide

HCID 98232CAS 2534-77-2

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Basic information

Standard SMILES: BrC1CC2CCC1C2
InChIKey: QXYOAWHKJRWNID-UHFFFAOYSA-N
Molecular formula: C7H11Br
Average molar mass: 175.07 g/mol
Monoisotopic mass: 174.00441245

Names & identifiers

Preferred name: 2-Norbornyl bromide
IUPAC: 2-bromobicyclo[2.2.1]heptane
English name: Bicyclo[2.2.1]heptane, 2-bromo- (9CI)
Molecular formula: C7H11Br
Molecular weight: 175.07

Names & synonyms

29342-65-22-Norbornyl bromideRefChem:2644612-Bromobicyclo[2.2.1]heptaneexo-Norbornyl bromideNorbornane, 2-bromo-, exo-Bicyclo[2.2.1]heptane, 2-bromo- (9CI)2-bromonorbornane2-exo-Norbornyl bromideBicyclo[2.2.1]heptane, 2-bromo-, exo-EINECS 219-798-9exo-2-bromonorbomane

Show more names

2-bromobicyclo

SCHEMBL1358243DTXSID90951895Bicyclo[2.2.1]hept-2-yl bromideBicyclo[2.2.1]heptane, 2-bromo-NSC 91496AKOS026730748BS-16882DB-286089

Database identifiers

CAS: 2534-77-2、29342-65-2
PubChem CID: 98232
DTXSID: DTXSID90951895
Nikkaji: J152J、J360.024F

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 101

Experimental & physicochemical properties

LogP3.54

Physicochemical properties

Boiling point: 81 · 81-83℃ (30 Torr)
Density: 1.464 · 1.464±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C7H11Br/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2
InChIKey: QXYOAWHKJRWNID-UHFFFAOYSA-N
SMILES: C12CC(CC1)CC2Br
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338