1-bromodecane

1-Decyl bromide
10-Bromodecane
Decane, 1-bromo-
Decyl bromide
n-Decyl bromide

Property	Value
InChI2D key string chemrof:inchi2d_key_string	MYMSJFSOOQERIO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
IUPAC name chemrof:IUPAC_name	1-bromodecane
Molecular formula chemrof:molecular_formula	C10H21Br
Molecular mass chemrof:molecular_mass	221.182
Monoisotopic mass chemrof:monoisotopic_mass	220.082663
SMILES string chemrof:smiles_string	CCCCCCCCCCBr

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=112-29-8	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.596	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9051581	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8780	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3559832	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y2JDF9ZCB6	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.209D	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8173	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q57981791	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
bfc75ead-0ffb-4eb1-9e30-7cce23360056	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
db457b7b-ae9b-42b9-b11f-b87415abacef	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
46847447-0bc0-4477-8959-193c5d0097f5	Environmental → Air → Indoor	EF 3.1	kg	2
2fa7844e-b6a8-45b7-9889-1de0b246cc42	Environmental → Air → Long-term	EF 3.1	kg	0
3d2317e2-10ce-44e4-b7ce-ad7dbc9eaba9	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
d3a1b8e9-c477-494d-a2bc-5baa8f8c7af2	Environmental → Air → Unknown	EF 3.1	kg	2
d896634c-dbef-45cc-8f2b-21be3b230aef	Environmental → Ground → Agricultural	EF 3.1	kg	2
bd28679b-a2f9-482f-abbc-5fad981b7e73	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
5ea8f606-fcce-407d-a5eb-80f5a8611217	Environmental → Ground → Unknown	EF 3.1	kg	2
dd947705-d0ad-4988-b2bd-19ee2bb3816c	Environmental → Water → Long-term	EF 3.1	kg	0
82186d41-67c9-4286-bbc7-6c16f5b6b8d5	Environmental → Water → Ocean	EF 3.1	kg	2
5553ef1a-5bce-4696-989d-6cfee4fdc89b	Environmental → Water → Surface water	EF 3.1	kg	2
4fafb394-692f-4bc7-a6e3-4be6e8587853	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-6397ccc7a51ad95d",
  "prefLabel": [
    {
      "@value": "1-bromodecane",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Decyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "10-Bromodecane",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Decane, 1-bromo-",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Decyl bromide",
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    },
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}

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1-bromodecane

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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