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Reaction Mass Of Ethyl (2s,3s)-3,4-dibromo-2-methylbutanoate And Ethyl (2r,3r)-3,4-dibromo-2-methylbutanoate And Ethyl (2s,3r)-3,4-dibromo-2-methylbutanoate And Ethyl (2r,3s)-3,4-dibromo-2-methylbutanoate

fo-d7788d3d0ad827fd

Identity

Type
Neutral molecule
CAS
1160806-44-9
EC
700-225-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Reaction Mass Of Ethyl (2s,3s)-3,4-dibromo-2-methylbutanoate And Ethyl (2r,3r)-3,4-dibromo-2-methylbutanoate And Ethyl (2s,3r)-3,4-dibromo-2-methylbutanoate And Ethyl (2r,3s)-3,4-dibromo-2-methylbutanoate

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JEGZRCOIHFVAGQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H12Br2O2/c1-3-11-7(10)5(2)6(9)4-8/h5-6H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name Butanoic acid, 3,4-dibromo-2-methyl-, ethyl ester
Molecular formula chemrof:molecular_formula C7H12Br2O2
Molecular mass chemrof:molecular_mass 287.979
Monoisotopic mass chemrof:monoisotopic_mass 285.920404
SMILES string chemrof:smiles_string CCOC(=O)C(C)C(Br)CBr

Known URLs

3

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=1160806-44-9 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID601035703 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23045355 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
d8da9a13-48cb-4073-8dcd-9881f19f5e34 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
af51f9b4-fc26-4df3-b4d3-8d025697a850 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3370f921-5392-41d9-9218-1dbab29646fa Environmental → Air → Indoor EF 3.1 kg 2
5aa019d1-548a-4746-85b9-6ba6f1adce28 Environmental → Air → Long-term EF 3.1 kg 0
34c12a93-06bc-46c9-b70a-13729c3ce027 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8de2a9c0-6de4-43c7-bad9-e4eb9aa2e04f Environmental → Air → Unknown EF 3.1 kg 2
c79bc06e-cb15-4c6d-acd3-2e11e93245dc Environmental → Ground → Agricultural EF 3.1 kg 2
62d0e217-1c04-40de-9637-90a39d0314b1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4bd3b5aa-2835-451d-98a2-16a4996d78c1 Environmental → Ground → Unknown EF 3.1 kg 2
a80ece39-b932-4927-917d-126d85a217fe Environmental → Water → Long-term EF 3.1 kg 0
b0ec235d-cd93-49a8-bef4-a8cba21a3749 Environmental → Water → Ocean EF 3.1 kg 2
e5655547-3720-4010-99e9-889ea902b3a2 Environmental → Water → Surface water EF 3.1 kg 2
ff92d55d-265e-457f-88d2-bb1760e0a184 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

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