Consensus flow list

Identity

Type
NeutralMolecule
CAS
99-35-4
EC
202-752-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for 1,3,5-Trinitrobenzene

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UATJOMSPNYCXIX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
IUPAC name chemrof:IUPAC_name 1,3,5-Trinitrobenzene
Molecular formula chemrof:molecular_formula C6H3N3O6
Molecular mass chemrof:molecular_mass 213.105
Monoisotopic mass chemrof:monoisotopic_mass 213.00218, 213.002185
SMILES string chemrof:smiles_string O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

Known URLs

16

Where 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=99-35-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48113 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.502 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021406 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=36931 enrich_references.pubchem_identifier_url
gmelin gmelin:27979 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2H75703R1X enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244187 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.845B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7434 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#0214 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1354 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3367 enrich_references.pubchem_identifier_url
reaxys reaxys:1252144 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q420320 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,3,5-Trinitrobenzene enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e2fba0fb-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-b10c-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
34d30566-0069-4438-8730-9c5908955343 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-b10b-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b10d-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-b10a-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-b108-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9d18-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-b109-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-b10f-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9d19-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-b10e-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-9d17-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
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