1-bromooctane

1-Octylbromide
8-Bromooctane
n-Octyl bromide
Octane, 1-bromo-
Octyl bromide

Property	Value
InChI2D key string chemrof:inchi2d_key_string	VMKOFRJSULQZRM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
IUPAC name chemrof:IUPAC_name	1-bromooctane
Molecular formula chemrof:molecular_formula	C8H17Br
Molecular mass chemrof:molecular_mass	193.128
Monoisotopic mass chemrof:monoisotopic_mass	192.051363
SMILES string chemrof:smiles_string	CCCCCCCCBr

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=111-83-1	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.557	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3021938	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9821	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL156047	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q382HPC6LC	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.989E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8140	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q161587	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
793b1754-78e8-4a2e-b119-372829803013	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
e66761cf-3241-43cf-b7ea-e8dface3b5a6	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
8450295b-44bf-42fd-b589-8582a76fe6d4	Environmental → Air → Indoor	EF 3.1	kg	2
5cbb3ec9-058c-4724-81e3-9ce7c9235ae8	Environmental → Air → Long-term	EF 3.1	kg	0
23da42ef-b3b3-4804-8704-decae12c3953	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
c52a5620-af07-40d3-8446-1dc1dead5d41	Environmental → Air → Unknown	EF 3.1	kg	2
42554951-1fe0-48f7-8ef8-5713a4a13d67	Environmental → Ground → Agricultural	EF 3.1	kg	2
a65499f4-10b0-4c2e-a8d2-5ddc374b1ef8	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
8eec2f40-653d-4d70-8009-28f3a2ed9dd3	Environmental → Ground → Unknown	EF 3.1	kg	2
1d68babb-930a-4de5-8f87-6c34157603b8	Environmental → Water → Long-term	EF 3.1	kg	0
57baf91a-d3b8-4330-807a-50c5bdf5a679	Environmental → Water → Ocean	EF 3.1	kg	2
549bc4a6-2fd1-40f4-9ea4-be064ced1eec	Environmental → Water → Surface water	EF 3.1	kg	2
60878b7c-f8a1-4608-970c-4ed1e20f8ac8	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-08d7c69510a6ee5f",
  "prefLabel": [
    {
      "@value": "1-bromooctane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Octylbromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=111-83-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "8-Bromooctane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:111-83-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=111-83-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Octyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octane, 1-bromo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octyl bromide",
      "@language": "en",
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  ],
  "properties": {
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        "C8H17Br"
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      "rdfs:label": "Molecular formula",
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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    "https://w3id.org/chemrof/molecular_mass": {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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1-bromooctane

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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