4-bromobenzyl Alcohol
fo-533b4b6e84b32e42
Identity
- Type
- Neutral molecule
- CAS
- 873-75-6
- EC
- 212-851-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
9- (4-Bromophenyl)methanol
- (p-Bromophenyl)methanol
- 1-(p-Bromophenyl)methanol
- 1-Bromo-4-(hydroxymethyl)benzene
- 4-Bromobenzenemethanol
- 4-Hydroxymethyl-1-bromobenzene
- Benzenemethanol, 4-bromo-
- Benzyl alcohol, p-bromo-
- p-Bromobenzyl alcohol
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | VEDDBHYQWFOITD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2 |
| IUPAC name chemrof:IUPAC_name | 4-bromobenzyl Alcohol |
| Molecular formula chemrof:molecular_formula | C7H7BrO |
| Molecular mass chemrof:molecular_mass | 187.036 |
| Monoisotopic mass chemrof:monoisotopic_mass | 185.968027 |
| SMILES string chemrof:smiles_string | OCc1ccc(Br)cc1 |
Known URLs
11Where 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=873-75-6 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.011.683 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID50236276 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB02822 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL184410 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.813D | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=147376 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL184410 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/70119 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017546 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27093776 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d4a1f58c-ec14-4eef-9a92-462db942fcce | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 0648bbae-00cd-4c95-9565-322d75d1891c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 8a1a63c9-6a52-4f34-ad1e-278e8495b3e4 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| b1377e18-8654-4103-a47b-2d90dfcb121a | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 20c0efbd-e412-44e5-9dfd-3be793e253a0 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| e6cffd62-2adf-49f1-8bec-dc532c86806d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 9cda2b49-24ca-4a49-b7a8-ab488ab27a96 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 45db8e1d-77c5-4fcb-8d6e-10eb336e2917 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 190cc498-0c86-4231-851d-ac73ac37d30b | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 1214c519-8e21-4e66-b964-2cdcc89dc8b1 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2fef7e1e-b6da-4813-89ee-23439314e8a2 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 4a088087-301e-4b15-a79b-770b9550a807 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 2c533810-6bbb-46f1-9543-a8f587a68c62 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 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