1-bromoheptane

1-Heptyl bromide
Heptane, 1-bromo-
Heptyl bromide
n-Heptyl bromide

Property	Value
InChI2D key string chemrof:inchi2d_key_string	LSXKDWGTSHCFPP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3
IUPAC name chemrof:IUPAC_name	1-bromoheptane
Molecular formula chemrof:molecular_formula	C7H15Br
Molecular mass chemrof:molecular_mass	179.101
Monoisotopic mass chemrof:monoisotopic_mass	178.035713
SMILES string chemrof:smiles_string	CCCCCCCBr

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=629-04-9	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.010.063	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7022095	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7315	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J523A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/12369	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q57950291	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f3559500-cf5c-4cad-ac78-ec0c69657d1a	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
487e0e44-c935-4e29-86c9-95107f17315c	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
5b3c1dd0-592e-4b2b-889a-848bc706b457	Environmental → Air → Indoor	EF 3.1	kg	2
afc930f3-13a0-4f45-b8db-258e3597c0e5	Environmental → Air → Long-term	EF 3.1	kg	0
3be29853-50bb-4a1f-bc48-34f1210075e6	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
759d13d2-ce8e-4174-9a00-e39e61d67f42	Environmental → Air → Unknown	EF 3.1	kg	2
db4af424-26e7-4e58-9334-7bb9f05901c2	Environmental → Ground → Agricultural	EF 3.1	kg	2
3dfb9f64-448d-4859-b6fb-7431c10cf925	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
4b04cd5a-19a6-4889-8537-b731372487f2	Environmental → Ground → Unknown	EF 3.1	kg	2
120a7144-5a3a-4553-9db9-9145fcf35c2f	Environmental → Water → Long-term	EF 3.1	kg	0
96d22f5a-482f-492c-8195-e633ead4e56f	Environmental → Water → Ocean	EF 3.1	kg	2
cb8f580a-0641-4ae8-bffd-02626e2c85c1	Environmental → Water → Surface water	EF 3.1	kg	2
f9fdc868-2468-4903-b352-d8e7021a8f56	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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}

1-bromoheptane

Identity

Structure

Alternative labels

Properties

Known URLs

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