Consensus flow list

3-chloromethyl Heptane

fo-77ef533ae901ae24

Identity

Type
Neutral molecule
CAS
123-04-6
EC
204-594-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 3-chloromethyl Heptane

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WLVCBAMXYMWGLJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
IUPAC name chemrof:IUPAC_name 3-chloromethyl Heptane
Molecular formula chemrof:molecular_formula C8H17Cl
Molecular mass chemrof:molecular_mass 148.677
Monoisotopic mass chemrof:monoisotopic_mass 148.101878
SMILES string chemrof:smiles_string CCCCC(CC)CCl

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=123-04-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.178 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40861758 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8883 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1T84ZY4DN7 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J44.178C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31240 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27894053 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f2159871-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-a5c8-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
22741028-f242-4cca-9da6-4afac373b5c4 Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-a5c7-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a41c-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-a5c6-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
f2157186-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 2
f2159872-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f2159874-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 2
f2159876-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
f2159873-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 2
f2159870-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 2
f2159875-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
    {
      "@value": "1-Chloro-2-ethylhexane",
      "@language": "en",
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      "@value": "2-Ethylhexyl chloride",
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    {
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    {
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}

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