1-chlorododecane

1-Dodecyl chloride
Dodecane, 1-chloro-
Dodecyl chloride
Lauryl chloride
n-Dodecyl chloride
n-Lauryl chloride

Property	Value
InChI2D key string chemrof:inchi2d_key_string	YAYNEUUHHLGGAH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
IUPAC name chemrof:IUPAC_name	1-chlorododecane
Molecular formula chemrof:molecular_formula	C12H25Cl
Molecular mass chemrof:molecular_mass	204.785
Monoisotopic mass chemrof:monoisotopic_mass	204.164478
SMILES string chemrof:smiles_string	CCCCCCCCCCCCCl

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=112-52-7	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.619	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0025492	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=57107	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1472384	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WE8O8J0UTK	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J375A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8192	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#3265	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q24736563	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
35bd9fed-5630-43d7-b642-1121c5f7c9b9	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
58345dbe-fac7-46ce-b926-aac25373eae5	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
c91993e9-c515-48b0-91fc-d50799c2498a	Environmental → Air → Indoor	EF 3.1	kg	2
199dfbe8-71bd-4966-831c-454ea07c0ac0	Environmental → Air → Long-term	EF 3.1	kg	0
fa38f3bd-20ae-4dcd-b4fc-b87e6800c9fa	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
b334cb8d-7efd-445a-9f6c-ed3fae01b70d	Environmental → Air → Unknown	EF 3.1	kg	2
680f043e-d14b-4735-9816-071089a48ac7	Environmental → Ground → Agricultural	EF 3.1	kg	2
dc7437e0-88f7-4b93-9665-1cfe5603a4ad	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
fb3daced-2cd1-4533-8446-9b9cdd003837	Environmental → Ground → Unknown	EF 3.1	kg	2
f4bdc710-abb0-4fad-9c83-cef3cb1f16f9	Environmental → Water → Long-term	EF 3.1	kg	0
4580a6a8-8cf5-43b1-9223-0acb3dcdc403	Environmental → Water → Ocean	EF 3.1	kg	2
65cda71c-9963-4898-b8dc-784ad1782dc2	Environmental → Water → Surface water	EF 3.1	kg	2
3a08eb4e-108a-4622-b861-2cd3ef1dadc5	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-ed4811b6688a82bb",
  "prefLabel": [
    {
      "@value": "1-chlorododecane",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "1-Dodecyl chloride",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Dodecane, 1-chloro-",
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    },
    {
      "@value": "Dodecyl chloride",
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    },
    {
      "@value": "Lauryl chloride",
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}

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1-chlorododecane

Identity

Structure

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