Consensus flow list

Tris[3-bromo-2,2-bis(bromomethyl)propyl] Phosphate

fo-36bc6965a2e13c5e

Identity

Type
Neutral molecule
CAS
19186-97-1
EC
413-060-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Tris[3-bromo-2,2-bis(bromomethyl)propyl] Phosphate

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BHYQWBKCXBXPKM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2
IUPAC name chemrof:IUPAC_name phosphoric acid tris[3-bromo-2,2-bis(bromomethyl)propyl] ester, tris[3-bromanyl-2,2-bis(bromomethyl)propyl] phosphate, tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate
Molecular formula chemrof:molecular_formula C15H24Br9O4P
Molecular mass chemrof:molecular_mass 1018.463
Monoisotopic mass chemrof:monoisotopic_mass 1009.406255
SMILES string chemrof:smiles_string C(C(CBr)(CBr)CBr)OP(=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr

Known URLs

8

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=19186-97-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.233 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.115.108 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0058691 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JCQ65AV6GN enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J422.034J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3015044 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72515432 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
25513b3e-a288-4a25-a0e8-c0185363421a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
239ae7c8-8ba5-4ad7-958a-0b390b65cd03 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
90b5b4fa-bd3a-41f2-9f93-c5f584cff703 Environmental → Air → Indoor EF 3.1 kg 4
5296926f-abf9-40d3-a0cd-11e3b9449d8d Environmental → Air → Long-term EF 3.1 kg 0
77001119-345c-4b91-bebb-60ee0b005473 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e8860a5c-6a12-44ea-8705-dfd410968e7c Environmental → Air → Unknown EF 3.1 kg 4
f1bee93e-4f69-41d2-9a3f-ce28001d9dec Environmental → Ground → Agricultural EF 3.1 kg 4
dc747375-df67-4948-9fef-cec907f8fd6b Environmental → Ground → Non-agricultural EF 3.1 kg 4
08951682-d947-48c6-ba36-c862646b9bf2 Environmental → Ground → Unknown EF 3.1 kg 4
49f1683d-fa86-4963-8827-527356d3804b Environmental → Water → Long-term EF 3.1 kg 0
30b62db6-1b66-47d0-84e8-a9af0fe18a2d Environmental → Water → Ocean EF 3.1 kg 4
59a8154f-dbc2-49ee-846a-626756cbd40b Environmental → Water → Surface water EF 3.1 kg 4
3788fb1f-d907-41db-8fcd-056d38b5cef6 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
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      "@value": "1-Propanol, 3-bromo-2,2-bis(bromomethyl)-, 1,1′,1′′-phosphate",
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      "@value": "1-Propanol, 3-bromo-2,2-bis(bromomethyl)-, phosphate (3:1)",
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      "@value": "Tris(tribromoneopentyl) phosphate",
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      "@value": "Tris[2,2-bis(bromomethyl)-3-bromopropyl] phosphate",
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