1-ethyl-4-nitrobenzene
fo-3157eb97504a5e30
Identity
- Type
- Neutral molecule
- CAS
- 100-12-9
- EC
- 202-821-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
7- 4-Ethyl-1-nitrobenzene
- 4-Ethylnitrobenzene
- 4-Nitro-1-ethylbenzene
- Benzene, 1-ethyl-4-nitro-
- p-Ethylnitrobenzene
- p-Nitroethylbenzene
- p-Nitrophenylethane
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | RESTWAHJFMZUIZ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 1-ethyl-4-nitrobenzene |
| Molecular formula chemrof:molecular_formula | C8H9NO2 |
| Molecular mass chemrof:molecular_mass | 151.165 |
| Monoisotopic mass chemrof:monoisotopic_mass | 151.063329 |
| SMILES string chemrof:smiles_string | CCc1ccc([N+](=O)[O-])cc1 |
Known URLs
8Where 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=100-12-9 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.565 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9059206 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=858 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PF7XXJ3RM4 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.815F | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7480 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q63399212 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e4ffb08a-8a55-4d80-a345-6fadf6ce3ed0 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 9a6b00ee-c928-4c9d-a73f-2e856dd6c0c7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 9f28ac4b-8101-4ea8-b59a-620fa2a6e055 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 2299c6bc-9b94-4cd4-adb8-9e2d17064635 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d9a55a49-7933-472a-9752-5d8f138b2ff6 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| ac0e1418-3bfa-4351-9d56-e1ac90713910 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 1440a8c7-fc25-43d2-b343-c8b4b6489f32 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 94d499c3-140c-47ab-9092-bf04fe90f471 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 593fc3fa-d027-417e-bc1f-5a6e01e0da61 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 70a90e04-9d12-4838-81a1-bbc145486ccc | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 5e5f54bd-f757-4029-90e0-cf3b01a7567e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 6e315f22-5a94-4eb4-ad52-a9280ea86f11 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| b98bfbcd-435a-43f4-b10e-af6a318da597 | 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?
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- This is not that chemical
- This record is two substances, or it is a second copy of one
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