3-bromobornan-2-one
fo-e9f96db35a3958fc
Identity
- Type
- Neutral molecule
- CAS
- 76-29-9
- EC
- 200-950-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
6- 2-Bornanone, 3-bromo-
- 3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
- 3-Bromocamphor
- Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-
- Camphor bromide
- Camphor, 3-bromo-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | NJQADTYRAYFBJN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 3-bromobornan-2-one |
| Molecular formula chemrof:molecular_formula | C10H15BrO |
| Molecular mass chemrof:molecular_mass | 231.133 |
| Monoisotopic mass chemrof:monoisotopic_mass | 230.030627 |
| SMILES string chemrof:smiles_string | CC12CCC(C(Br)C1=O)C2(C)C |
Known URLs
9Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=76-29-9 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.152.215 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID10858711 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=26355 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4303364 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.731F | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.171H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6438 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q4096902 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d275494c-5bac-4057-b16e-4ec7b691c403 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 9bdf5f55-eb03-4f58-a237-76ee6862bfa7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 67b549a6-d9d8-4de8-91ff-8b2d8a170bdb | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| fdc9887d-eade-4381-ae36-651039dd95cb | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 8bd9534a-3388-4ee5-94b2-b2da5721de1f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 22952f76-d601-4b35-8fce-b7952ed0c7f7 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| ff1a7ec0-fa27-4eeb-a074-b33846499663 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 8b6ff6bb-81dd-47e8-95f2-40f51d47946b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| d826550e-01ff-44ed-9c5f-a31bcc840610 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| a8034787-e1a2-4018-99ff-cc43ff69bb3b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| f649f2b8-a62a-45a9-9235-d229d1f02de3 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 99854130-8277-4b4f-a6a9-45cd6eeea9c6 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| a986578a-6ab9-4442-a99c-541ab6e39542 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works