1-bromohexane

1-Hexane bromide
1-Hexylbromide
Hexane, 1-bromo-
Hexyl bromide
n-Hexyl bromide

Property	Value
InChI2D key string chemrof:inchi2d_key_string	MNDIARAMWBIKFW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3
IUPAC name chemrof:IUPAC_name	1-bromohexane
Molecular formula chemrof:molecular_formula	C6H13Br
Molecular mass chemrof:molecular_mass	165.074
Monoisotopic mass chemrof:monoisotopic_mass	164.020063
SMILES string chemrof:smiles_string	CCCCCCBr

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=111-25-1	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.501	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4021929	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=71206	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187491	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WVA0FAX7GA	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.986K	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8101	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q3292844	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/1-Bromohexane	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f5ad1657-3f53-4f1d-bcf1-27270de48d0d	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
994df4f7-a7a3-46c5-a786-e53290f1ef4b	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
7fa77111-917b-4b87-b1e3-4ea6d9756a75	Environmental → Air → Indoor	EF 3.1	kg	2
8a505cfe-7530-4538-afb9-ac10451091dd	Environmental → Air → Long-term	EF 3.1	kg	0
d7bb3203-d964-4d90-baa2-099d7780b652	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
f6264df1-eaeb-4c50-8e61-9481dece96da	Environmental → Air → Unknown	EF 3.1	kg	2
c8428a84-2673-4a4d-a552-de8bf853e769	Environmental → Ground → Agricultural	EF 3.1	kg	2
8122cbce-a1a2-4955-83c1-8eecbead14cc	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
264d56aa-bc90-49db-8080-57a7f179ca4e	Environmental → Ground → Unknown	EF 3.1	kg	2
a29b2d64-d288-4f66-ab05-2a00f18b003a	Environmental → Water → Long-term	EF 3.1	kg	0
34c22b59-ba97-46e1-a310-48a0ef67977b	Environmental → Water → Ocean	EF 3.1	kg	2
0b997030-76f9-40d3-b32c-f01a01880872	Environmental → Water → Surface water	EF 3.1	kg	2
079bfa82-e048-43e3-8f1c-d84f4ec28f9e	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
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  "altLabel": [
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    {
      "@value": "1-Hexylbromide",
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    {
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    },
    {
      "@value": "Hexyl bromide",
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}

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1-bromohexane

Identity

Structure

Alternative labels

Properties

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Elementary flows

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