2-butyl-4-chloro-5-formylimidazole
fo-3a8d80b33de89e81
Identity
- Type
- Neutral molecule
- CAS
- 83857-96-9
- EC
- 410-260-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
19- 1H-Imidazole-4-carboxaldehyde, 2-butyl-5-chloro-
- 2-Butyl-4-chloro-1H-imidazole-5-carbaldehyde
- 2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde
- 2-Butyl-4-chloro-1H-imidazolyl-5-carboxaldehyde
- 2-Butyl-4-chloroimidazole-5-carbaldehyde
- 2-Butyl-4-chloroimidazole-5-carboxaldehyde
- 2-Butyl-5-chloro-1H-imidazole-4-carbaldehyde
- 2-Butyl-5-chloro-1H-imidazole-4-carboaldehyde
- 2-Butyl-5-chloro-1H-imidazole-4-carboxaldehyde
- 2-Butyl-5-chloro-3H-imidazole-4-carboxaldehyde
- 2-Butyl-5-chloro-4-formylimidazole
- 2-Butyl-5-chloroimidazole-4-carbaldehyde
- 2-Butyl-5-chloroimidazole-4-carboxaldehyde
- 2-Butyl-5-formyl-4-chloroimidazole
- 2-n-Butyl-4-chloro-5 formyl imidazole
- 2-n-Butyl-4-chloro-5-imidazolecarboxaldehyde
- 2-n-Butyl-5-chlorimidazole-4-carbaldehyde
- 2n-Butyl-4-chloro-5-formylimidazole
- 4-Chloro-2-n-butylimidazole-5-carboxaldehyde
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | JLVIHQCWASNXCK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H11ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11) |
| IUPAC name chemrof:IUPAC_name | 2-butyl-4-chloro-5-formylimidazole |
| Molecular formula chemrof:molecular_formula | C8H11ClN2O |
| Molecular mass chemrof:molecular_mass | 186.642 |
| Monoisotopic mass chemrof:monoisotopic_mass | 186.055991 |
| SMILES string chemrof:smiles_string | CCCCc1nc(Cl)c(C=O)[nH]1 |
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=83857-96-9 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.100.989 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.111.550 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4075039 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3933368 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7H170U0SWE | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J513.788H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/55176 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27268274 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d32e2cc9-e7d5-4822-8a10-2da469e1c2b9 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 37cb8076-e22e-4a3a-91cf-3e5dcceb2aff | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 99098fca-11e2-4512-99f4-e84cfdc2e08c | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 3729a1d5-02f1-4e96-8b17-40992e00a8dc | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 283e39e3-6ec0-47f1-8c8d-d5cd80d9307d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 736b3d94-6a12-468c-84f3-adfea7bfb6f0 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 5f7a860d-7378-4fc2-84e2-0db3f3a8f3aa | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| cee435b5-c517-4fdc-a0cc-232d84bd05db | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 973eab22-ca8a-4ea0-a97e-4b0610c3b88f | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 6adaf559-d1cb-4f99-8c20-3905665ae411 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2fa9887a-dfcb-4491-9ca0-fc0c5e6ddb45 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 77fc5185-4fd6-45a1-907b-e8990ab8374c | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 9aafbff0-20f4-48a6-8e4e-9a26883abdc5 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 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