Binapacryl

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role	Definition	Evidence
acaricide CHEBI:22153	A substance used to destroy pests of the subclass Acari (mites and ticks).	ChEBI
agrochemical CHEBI:33286	An agrochemical is a substance that is used in agriculture or horticulture.	ChEBI
fungicide CHEBI:24127	A substance used to destroy fungal pests.	ChEBI
pesticide CHEBI:25944	Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.	ChEBI

(+-)-binapacryl
(RS)-2-sec-butyl-4,6-dinitrophenyl 3-methylcrotonate
(RS)-binapacryl
2,4-Dinitro-6-sec-butylphenyl 2-methylcrotonate
2-(1-Methylpropyl)-4,6-dinitrophenyl 3,3-dimethylacrylate
2-(1-Methylpropyl)-4,6-dinitrophenyl 3-methyl-2-butenoate
2-(1-Methylpropyl)-4,6-dinitrophenyl beta,beta-dimethacrylate
2-(1-Methylpropyl)-4,6-dinitrophenyl β,β-dimethacrylate
2-Butenoic acid, 3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester
2-sec-Butyl-4,6-dinitrophenyl 3-methyl-2-butenoate
2-sec-Butyl-4,6-dinitrophenyl 3-methylcrotonate
2-sec-Butyl-4,6-dinitrophenyl beta,beta-dimethylacrylate
2-sec-Butyl-4,6-dinitrophenyl-3,3-dimethylacrylate
3,3-Dimethylacrylic acid 2-sec-butyl-4,6-dinitrophenyl ester
3-Methyl-2-butenoic acid 2-(1-methylpropyl)-4,6-dinitrophenyl ester
3-Methyl-2-butenoic acid 2-sec-butyl-4,6-dinitrophenyl ester
3-Methylcrotonic acid 2-sec-butyl-4,6-dinitrophenyl ester
4,6-Dinitro-2-sec-butylphenyl beta,beta-dimethylacrylate
4,6-Dinitrophenyl-2-sec-butyl-3-methyl-2-butenonate
Acricid
Crotonic acid, 3-methyl-, 2-sec-butyl-4,6-dinitrophenyl ester
Dinapacryl
Dinoseb methacrylate
Endosan
Morocide
rac-2-(butan-2-yl)-4,6-dinitrophenyl 3-methylbut-2-enoate
rac-binapacryl
racemic binapacryl

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ZRDUSMYWDRPZRM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3
IUPAC name chemrof:IUPAC_name	(RS)-2-sec-butyl-4,6-dinitrophenyl 3-methylcrotonate
Molecular formula chemrof:molecular_formula	C15H18N2O6
Molecular mass chemrof:molecular_mass	322.317
Monoisotopic mass chemrof:monoisotopic_mass	322.116486
SMILES string chemrof:smiles_string	CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C=C(C)C

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
agr	agr:IND82049887	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=485-31-4	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82153	enrich_references.chebi_id_link
KEGG	https://www.genome.jp/entry/C19022	enrich_references.chebi_xrefs
patent	patent:GB2012587	enrich_references.chebi_xrefs
pesticides	pesticides:binapacryl	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/4694681	enrich_references.chebi_xrefs
reaxys	reaxys:2013712	enrich_references.chebi_xrefs
Wikipedia	https://en.wikipedia.org/wiki/Binapacryl	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
3bd1008b-2c3a-4e62-95af-87a3a64bc50e	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
20c91472-2373-4820-a1ba-0c3abeace458	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
56cacc7b-02fc-4fa7-8325-479b0ae4a95e	Environmental → Air → Indoor	EF 3.1	kg	2
7e4b86c4-1874-44b4-8ed3-bfcc6e61bf73	Environmental → Air → Long-term	EF 3.1	kg	0
da4ad2cd-fc12-4f11-9280-91965ec5f500	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
a5cbaac8-6be2-44bb-90d5-89a39084255c	Environmental → Air → Unknown	EF 3.1	kg	2
337f2708-e8e2-43c0-9132-029d9d354eb2	Environmental → Ground → Agricultural	EF 3.1	kg	2
4433edf7-060c-4089-8f8b-af736116b643	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
fb2d9276-1825-4386-aaaa-680a87e4301f	Environmental → Ground → Unknown	EF 3.1	kg	2
993ff6bc-1272-45af-b0da-1629891360f3	Environmental → Water → Long-term	EF 3.1	kg	0
6eb08b15-326a-407f-bcfa-9b323e25ec04	Environmental → Water → Ocean	EF 3.1	kg	2
e2f44a69-0ff0-4f70-9747-0aa2aa71c6c0	Environmental → Water → Surface water	EF 3.1	kg	2
e6a4787b-1f5b-4b58-9db4-cf2538bbb390	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-0cef8f266335e806",
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    {
      "@value": "Binapacryl",
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    },
    {
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    {
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    {
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    },
    {
      "@value": "3-Methylcrotonic acid 2-sec-butyl-4,6-dinitrophenyl ester",
      "@language": "en",
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    },
    {
      "@value": "4,6-Dinitro-2-sec-butylphenyl beta,beta-dimethylacrylate",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "4,6-Dinitrophenyl-2-sec-butyl-3-methyl-2-butenonate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Acricid",
      "@language": "en",
      "@lang": "en",
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        ],
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    },
    {
      "@value": "Crotonic acid, 3-methyl-, 2-sec-butyl-4,6-dinitrophenyl ester",
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          "https://commonchemistry.cas.org/detail?cas_rn=485-31-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dinapacryl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Dinoseb methacrylate",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Endosan",
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      "@lang": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=485-31-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Morocide",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "rac-2-(butan-2-yl)-4,6-dinitrophenyl 3-methylbut-2-enoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "rac-binapacryl",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "racemic binapacryl",
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  ],
  "properties": {
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}

Binapacryl

Identity

Structure

What it is used for

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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