Nitroethane
fo-be0ac27ab39211ef
Identity
- Type
- Neutral molecule
- CAS
- 79-24-3
- EC
- 201-188-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
3- 1-nitroethane
- Ethane, nitro-
- Nitroethan
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | MCSAJNNLRCFZED-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3 |
| IUPAC name chemrof:IUPAC_name | Nitroethane |
| Molecular formula chemrof:molecular_formula | C2H5NO2 |
| Molecular mass chemrof:molecular_mass | 75.067 |
| Monoisotopic mass chemrof:monoisotopic_mass | 75.032028, 75.03203 |
| SMILES string chemrof:smiles_string | CC[N+](=O)[O-] |
Known URLs
24Where 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=79-24-3 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/KI557300.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16268 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.081 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0817 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8020969 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8800 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15625 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:68639 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6KEL3ZAU0V | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0255646 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.837G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C01837 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C01837 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=50439 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-12077 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:NIE | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6587 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2842 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18491914 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24963606 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1209324 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q417316 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Nitroethane | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 047f916d-08d4-483d-bee0-24bae40d9dcc | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 1548cfa4-3d8b-42fc-aeb4-854e40732f8d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 8e638e7a-0955-4788-89b5-b7a7d37af9d9 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 9daa99db-1ed2-4d95-94e1-2736ddcca5bc | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f2ecbb0a-9dbd-41ae-8711-85cf483cfd26 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| eb6c46cb-5991-43dd-b6f9-3cc5c5fe93d1 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 712746e4-50b4-4578-a1fb-c583285d3b6d | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| b44d09d9-6c3d-489f-ae6e-f087666fc8bd | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 8aa31f51-eacf-40af-a27b-749545d14608 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 2c1f6a5a-9e88-4007-8e1b-ca6862de102a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 526394ae-8440-4d11-94bd-437018212602 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| d44d22a2-2b25-490c-ae3f-7a9aa01931d7 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 1ad306ba-aa25-4ed8-ae5f-a6ed2e57086a | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
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