1,6-dibromohexane

1,6-Dibromo-n-hexane
Hexamethylene dibromide
Hexane, 1,6-dibromo-
α,ω-Dibromohexane

Property	Value
InChI2D key string chemrof:inchi2d_key_string	SGRHVVLXEBNBDV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2
IUPAC name chemrof:IUPAC_name	1,6-dibromohexane
Molecular formula chemrof:molecular_formula	C6H12Br2
Molecular mass chemrof:molecular_mass	243.97
Monoisotopic mass chemrof:monoisotopic_mass	241.930575
SMILES string chemrof:smiles_string	BrCCCCCCBr

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=629-03-8	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.010.062	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4044452	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7306	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3559826	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7L71Q7Y230	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J68.586K	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=132008	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/12368	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q161558	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
7610da2c-c00b-42d4-a6e8-3437c24d394b	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
2554d1b9-e7b5-40a8-a9ae-a55af862cbc5	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
b56a54f0-8308-480a-8383-51f43166e287	Environmental → Air → Indoor	EF 3.1	kg	2
250da8c6-cbae-446b-a3a2-fd45fd895f0a	Environmental → Air → Long-term	EF 3.1	kg	0
6ef22b45-897e-41d2-b697-69faf1ed729d	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
7c2784c6-baae-46b7-b812-962532725fb0	Environmental → Air → Unknown	EF 3.1	kg	2
868d52f7-0340-4b73-963f-d6cb7801b6ba	Environmental → Ground → Agricultural	EF 3.1	kg	2
600c5e43-302b-4910-92da-943a49be6f12	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
ca558871-66be-4c85-a1ce-88ad657ab687	Environmental → Ground → Unknown	EF 3.1	kg	2
0ab56270-a640-4352-94d0-b3790af87d38	Environmental → Water → Long-term	EF 3.1	kg	0
f6d39cbe-cafe-4b17-81a8-fe62585ff1d2	Environmental → Water → Ocean	EF 3.1	kg	2
08ebebd9-84f5-459b-b1c4-d9926628b1d2	Environmental → Water → Surface water	EF 3.1	kg	2
375a0ae4-0176-40ba-bb96-b21d31d7f7b9	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
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    {
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}

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1,6-dibromohexane

Identity

Structure

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