1-Bromo(~2~H_9_)cyclopentane
Basic information
- CAS
35468-44-1- Standard SMILES
[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(Br)C1([2H])[2H]- InChIKey
BRTFVKHPEHKBQF-UHUJFCCWSA-N- Molecular formula
- C5H9Br
- Average molar mass
- 158.08 g/mol
- Monoisotopic mass
- 157.04525
Names & identifiers
- Preferred name
- 1-Bromo(~2~H_9_)cyclopentane
- IUPAC
- 1-bromo-1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane
- English name
- Bromocyclopentane-d9
- Molecular formula
- C5BrD9
- Molecular weight
- 158.08
Names & synonyms
35468-44-11-Bromo(~2~H_9_)cyclopentaneDTXSID30584020RefChem:228219DTXCID10534785Bromocyclopentane-d91-bromo-1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentaneCYCLOPENTYL BROMIDE-D9-D5-Bromo-cyclopentane-1,1,2,2,3,3,4,4,5-d9; Bromo-cyclopentane-d9; Cyclopentyl-d9 BromideBromocyclopentane-d?Cyclopentyl-D9 bromide1-bromo(?H?)cyclopentane
Show more names
Bromcyclopentan-d9cyclopentyl bromide-d9Bromocyclopentane ImpurityCyclopentyl bromide-D? (D, 98%)CYCLOPENTYL BROMIDE-D9 (D, 99%)
SCHEMBL13596845AKOS015915957CYCLOPENTYL BROMIDE-D9 (D, 98%)D99188Bromocyclopentane-d9, reagent grade, >=98 atom % D, >=99% (CP)
Database identifiers
- CAS
35468-44-1- PubChem CID
- 16213530
- DTXSID
DTXSID30584020- EC Number
- 693-170-6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 37.2
Physicochemical properties
- Boiling point
- 137 · 137-139 °C(lit.)
- Density
- 1.473 g/mL · 1.473 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4881(lit.)
- Flash point
- 95 °F · 95 °F
- solubility
- Chloroform (Slightly)
- form
- Oil
- color
- Clear Coulorless
- InChI
- 1S/C5H9Br/c6-5-3-1-2-4-5/h5H,1-4H2/i1D2,2D2,3D2,4D2,5D
- InChIKey
- BRTFVKHPEHKBQF-UHUJFCCWSA-N
- SMILES
- [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(Br)C1([2H])[2H]
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 12 · NA.12
- CAS Number Unlabeled
- 137 · 137-43-9
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- risk_code
- 10-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xn
- safety_code
- 16-33-36/37/39-24/25-23
- Hazard statements
- H226
- Precautionary statements
- P210-P233-P240-P241-P242-P243
Chemistry & industry
Applications
UsesBromocyclopentane-d9 is the isotope labelled analog of Bromocyclopentane. Bromocyclopentane, is an organic reagent that can be used as both the starting material and an intermediates in the chemical synthesis. It can be used as an starting material in the synthesis of Glycopyrrolate Bromide (G656980), which is a is a medication of the muscarinic anticholinergic group.
Suppliers
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Compound notes
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