Consensus flow list

3-[(4-chloro-2-nitrophenyl)diazenyl]-2-methylpyrazolo[5,1-b]quinazolin-9(1h)-one

fo-c6612a16e57eabf3

Identity

Type
Neutral molecule
CAS
74336-59-7
EC
277-823-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-[(4-chloro-2-nitrophenyl)diazenyl]-2-methylpyrazolo[5,1-b]quinazolin-9(1h)-one

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XJYVVHWZCYUMQY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H11ClN6O3/c1-9-15(21-20-13-7-6-10(18)8-14(13)24(26)27)16-19-12-5-3-2-4-11(12)17(25)23(16)22-9/h2-8,22H,1H3
IUPAC name chemrof:IUPAC_name 3-[(4-chloro-2-nitrophenyl)diazenyl]-2-methylpyrazolo[5,1-b]quinazolin-9(1h)-one
Molecular formula chemrof:molecular_formula C17H11ClN6O3
Molecular mass chemrof:molecular_mass 382.767
Monoisotopic mass chemrof:monoisotopic_mass 382.058116
SMILES string chemrof:smiles_string Cc1[nH]n2c(=O)c3ccccc3nc2c1N=Nc1ccc(Cl)cc1[N+](=O)[O-]

Known URLs

7

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=74336-59-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.070.727 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30888434 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QJ5UD753RR enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J318.954F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/166442 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q26706174 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
457e4fa7-c779-40c1-bb7a-ba8cc73352d1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6883b634-5368-4d1a-8f03-f698f2091c70 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
64259a73-d8a4-4ff8-ae30-133e2f7a653d Environmental → Air → Indoor EF 3.1 kg 2
4a5cac09-ea5d-4f8c-9a93-6717f3316270 Environmental → Air → Long-term EF 3.1 kg 0
b01fd23b-b38a-432e-883d-b660d5bda976 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
885c9fac-95d7-4ade-b30c-3d7bf34ced7b Environmental → Air → Unknown EF 3.1 kg 2
5c8b191f-96b1-4401-bfdf-d4a9021e1af7 Environmental → Ground → Agricultural EF 3.1 kg 2
12280151-9853-42e2-857b-b7b404e56049 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f8044c83-3255-4e44-8dd2-31ac35170cd6 Environmental → Ground → Unknown EF 3.1 kg 2
0bc27390-592a-4c6d-a2f2-27bc020bd9a1 Environmental → Water → Long-term EF 3.1 kg 0
72746079-30af-40f4-84c2-ea1356e9f7d1 Environmental → Water → Ocean EF 3.1 kg 2
99bd8bde-bfce-421d-9cfb-06d6cc7a3da3 Environmental → Water → Surface water EF 3.1 kg 2
a0ae9e31-e9b1-48a2-8f14-cdfd33c7183a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-c6612a16e57eabf3",
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      "@value": "3-[(4-chloro-2-nitrophenyl)diazenyl]-2-methylpyrazolo[5,1-b]quinazolin-9(1h)-one",
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  ],
  "altLabel": [
    {
      "@value": "3-[2-(4-Chloro-2-nitrophenyl)diazenyl]-2-methylpyrazolo[5,1-b]quinazolin-9(1H)-one",
      "@language": "en",
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      "@value": "C.I. Pigment Orange 67",
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      "@value": "Pyrazolo[5,1-b]quinazolin-9(1H)-one, 3-[(4-chloro-2-nitrophenyl)azo]-2-methyl-",
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}

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