Consensus flow list

3-bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic Acid

fo-72ca18e6a21687ae

Identity

Type
Neutral molecule
CAS
500011-86-9
EC
481-150-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic Acid

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FORBXGROTPOMEH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H5BrClN3O2/c10-7-4-6(9(15)16)14(13-7)8-5(11)2-1-3-12-8/h1-4H,(H,15,16)
IUPAC name chemrof:IUPAC_name 3-bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic Acid
Molecular formula chemrof:molecular_formula C9H5BrClN3O2
Molecular mass chemrof:molecular_mass 302.515
Monoisotopic mass chemrof:monoisotopic_mass 300.925366
SMILES string chemrof:smiles_string O=C(O)c1cc(Br)nn1-c1ncccc1Cl

Known URLs

5

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=500011-86-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.105.323 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30469045 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11587535 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72453454 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cec7a4dd-018d-4ea6-bbb5-680a832abb98 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bb8dea1b-bcf6-489c-9724-035384ebb2ba Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ead5bd66-e1ff-4563-aa36-54d427963e57 Environmental → Air → Indoor EF 3.1 kg 2
3fd53c6e-86ac-4f79-af7c-180a7fc40b1d Environmental → Air → Long-term EF 3.1 kg 0
e1a64e28-92ea-4a9e-9799-da498e18f453 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ff557c00-494c-41ae-97be-81653363c863 Environmental → Air → Unknown EF 3.1 kg 2
60ff754b-5217-47d6-bd43-cd61cde7613e Environmental → Ground → Agricultural EF 3.1 kg 2
3b907e86-5195-4482-8966-7c0648fef991 Environmental → Ground → Non-agricultural EF 3.1 kg 2
1be75407-fe94-4bce-b590-00e4748516fe Environmental → Ground → Unknown EF 3.1 kg 2
a66253e0-ffd9-44a0-bf52-82e14018f270 Environmental → Water → Long-term EF 3.1 kg 0
925da42c-bf55-4773-b878-e79d9bb7b32e Environmental → Water → Ocean EF 3.1 kg 2
fcf9ceea-28cd-4a75-9052-949f834f3ecf Environmental → Water → Surface water EF 3.1 kg 2
10dc3920-2d67-4710-9062-49127e2c876c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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