Consensus flow list

Trans-1,2-dichlorocyclohexane

fo-724657e33a023773

Identity

Type
Neutral molecule
CAS
822-86-6
EC
212-503-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Trans-1,2-dichlorocyclohexane

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GZEZIBFVJYNETN-PHDIDXHHSA-N, HDNRJVBIDDXPJX-JLCFLTIHSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H10Cl2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string Cl[C@@H]1CCCC[C@H]1Cl
IUPAC name chemrof:IUPAC_name Trans-1,2-dichlorocyclohexane
Molecular formula chemrof:molecular_formula C12H20Cl4, C6H10Cl2
SMILES string chemrof:smiles_string ClC1CCCCC1Cl

Known URLs

8

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=822-86-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.367 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7022126 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YRN932MS48 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J232.204H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/122173946 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2723623 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27896917 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ad5daa8c-56a2-4183-8f26-4175fd1a1377 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f830b8bb-6463-429e-a39f-170412829799 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
40463be0-c9fe-4812-9cab-e11f012073cb Environmental → Air → Indoor EF 3.1 kg 2
cbc1b655-667e-48be-8203-25d0cce6e416 Environmental → Air → Long-term EF 3.1 kg 0
31a9e010-0642-4a29-9ee8-c8afffd1286e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6e3e8536-2aa8-4e48-839e-acbb698e6757 Environmental → Air → Unknown EF 3.1 kg 2
48faad4e-49cf-47e8-8e1d-7aed4fc2c518 Environmental → Ground → Agricultural EF 3.1 kg 2
1d1052d5-f761-424b-be27-9c0d17b0f547 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a3f4de92-a3cc-4cce-8efa-24142f760ebc Environmental → Ground → Unknown EF 3.1 kg 2
e9b980cf-1e54-4831-a90c-2e19c523fd1c Environmental → Water → Long-term EF 3.1 kg 0
9d93a4d0-d83d-4802-bc7b-ff5ff46bbf58 Environmental → Water → Ocean EF 3.1 kg 2
ca19e340-64b5-48b6-836e-efff775f54fd Environmental → Water → Surface water EF 3.1 kg 2
450a029c-2eb5-469d-80b7-fe5ade4ffbb1 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-724657e33a023773",
  "prefLabel": [
    {
      "@value": "Trans-1,2-dichlorocyclohexane",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "1,2-trans-Dichlorocyclohexane",
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    },
    {
      "@value": "Cyclohexane, 1,2-dichloro-, (1R,2R)-rel-",
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    },
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    {
      "@value": "rel-(1R,2R)-1,2-Dichlorocyclohexane",
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}

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