Consensus flow list

4-tert-butylbenzonitrile

fo-3efceb62547bafa6

Identity

Type
Neutral molecule
CAS
4210-32-6
EC
224-137-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-tert-butylbenzonitrile

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IIZURLNRIMKEDL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
IUPAC name chemrof:IUPAC_name 4-tert-butylbenzonitrile
Molecular formula chemrof:molecular_formula C11H13N
Molecular mass chemrof:molecular_mass 159.232
Monoisotopic mass chemrof:monoisotopic_mass 159.104799
SMILES string chemrof:smiles_string CC(C)(C)c1ccc(C#N)cc1

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=4210-32-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.944 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70194945 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y968PR6AS9 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J225.000D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/77883 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72502385 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
82015e18-9f31-41be-9968-07ebdb1d3c61 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d4811c0d-e49e-407f-94a1-d32e15048bfa Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0a269157-2669-4840-ac9f-66d48cef731b Environmental → Air → Indoor EF 3.1 kg 2
1b5775ee-d9d1-4a47-a78c-fc6fa280a408 Environmental → Air → Long-term EF 3.1 kg 0
7656bf25-fc69-4a7d-ab01-e6065e922c3b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f8eab97d-6ddc-4277-bbae-1dc3907d5770 Environmental → Air → Unknown EF 3.1 kg 2
ebb2762e-1400-443a-a874-9b7ac01546ad Environmental → Ground → Agricultural EF 3.1 kg 2
5ba0eccf-571a-4efe-b8cc-f73ce548e09c Environmental → Ground → Non-agricultural EF 3.1 kg 2
68683aa2-3b5b-4cf5-b632-84692ce37051 Environmental → Ground → Unknown EF 3.1 kg 2
76891325-4385-40dc-aaeb-9d5b9a497aec Environmental → Water → Long-term EF 3.1 kg 0
f778579f-da47-4f32-834f-bd6c51519cdd Environmental → Water → Ocean EF 3.1 kg 2
758e2c55-084b-4eae-aede-2f3d76f18d83 Environmental → Water → Surface water EF 3.1 kg 2
99d5688d-b863-45a6-9012-951b82fed50a 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 
{
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  ],
  "altLabel": [
    {
      "@value": "1-Cyano-4-(tert-butyl)benzene",
      "@language": "en",
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      }
    },
    {
      "@value": "4-(1,1-Dimethylethyl)benzonitrile",
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      "@value": "Benzonitrile, 4-(1,1-dimethylethyl)-",
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}

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