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4,5-dichloro-2-octyl-3-isothiazolone English (Q1209407)

Item Discussion
chemical compound
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Language Label Description Also known as
British English
No label defined
chemical compound

    Statements

    CAS registry number
    64359-81-5
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    HCY9Q844W2
    language of work or name
    English
    title
    4,5-dichloro-2-octyl-3-isothiazolone (English)
    retrieved
    20 November 2016
    InChIKey
    PORQOHRXAJJKGK-UHFFFAOYSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    9 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=64359-81-5
    PubChem CID
    91688
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    91688
    language of work or name
    English
    title
    64359-81-5 (English)
    retrieved
    20 November 2016
    chemical formula
    C₁₁H₁₇Cl₂NOS
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    91688
    language of work or name
    English
    title
    64359-81-5 (English)
    retrieved
    20 November 2016
    SMILES
    CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    91688
    language of work or name
    English
    title
    64359-81-5 (English)
    retrieved
    20 November 2016
    InChI
    InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    91688
    language of work or name
    English
    title
    64359-81-5 (English)
    retrieved
    20 November 2016
    InChIKey
    PORQOHRXAJJKGK-UHFFFAOYSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    91688
    language of work or name
    English
    title
    64359-81-5 (English)
    retrieved
    20 November 2016
    stated in
    Q98915402 (Deleted Item)
    UNII English
    HCY9Q844W2
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    HCY9Q844W2
    language of work or name
    English
    title
    4,5-dichloro-2-octyl-3-isothiazolone (English)
    retrieved
    20 November 2016
    ChEBI ID
    83518
    mapping relation type English
    exact match English
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL110764
    language of work or name
    English
    title
    CHEMBL110764 (English)
    retrieved
    20 November 2016
    ChEMBL ID
    CHEMBL110764
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL110764
    language of work or name
    English
    title
    CHEMBL110764 (English)
    retrieved
    20 November 2016
    mass
    281.040791±0 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    91688
    language of work or name
    English
    title
    64359-81-5 (English)
    retrieved
    9 October 2016
    ChemSpider ID
    82791
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    82791
    language of work or name
    English
    title
    dcoit (English)
    retrieved
    20 November 2016
    ECHA InfoCard ID
    100.058.930
    1 reference
    stated in
    Q59911453 (Deleted Item)
    ECHA InfoCard ID
    100.058.930
    retrieved
    27 December 2018
    title
    4,5-dichloro-2-octyl-2H-isothiazol-3-one (English)
    quotation
    CAS no.: 64359-81-5 (English)
    Reaxys registry number English
    1110842
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    83518
    language of work or name
    English
    title
    4,5-dichloro-2-n-octyl-3(2H)-isothiazolone (English)
    retrieved
    9 October 2016
    EC number
    264-843-8
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    HCY9Q844W2
    language of work or name
    English
    title
    4,5-dichloro-2-octyl-3-isothiazolone (English)
    retrieved
    20 November 2016
    RxNorm ID English
    1486818
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    HCY9Q844W2
    language of work or name
    English
    title
    4,5-dichloro-2-octyl-3-isothiazolone (English)
    retrieved
    20 November 2016
    DSSTox substance ID English
    DTXSID5032315
    1 reference
    stated in
    Q28061352 (Deleted Item)
    SPLASH English
    splash10-001i-0190000000-34fbaadbbdf0bc4d81cf
    0 references
    splash10-014i-1930000000-f39cbda998da1755e3b1
    0 references
    splash10-014i-1900000000-296ca569312e189a894d
    0 references
    splash10-014i-1900000000-c0dedeb76ab6a5588c52
    0 references
    splash10-014i-1900000000-1aefe49ad8bf787446d7
    0 references
    splash10-0159-2900000000-dbb12c80c1f2393a079d
    0 references
    splash10-001i-0190000000-34f3aa31e145b92f2bdf
    0 references
    splash10-014i-1930000000-495ff9b9e7818da7ea3b
    0 references
    splash10-014i-1900000000-024b1b6968176e786be8
    0 references
    splash10-014i-1900000000-7c735ac3a70386083904
    0 references
    splash10-014i-1900000000-4a3f880ee458958a4491
    0 references
    splash10-0159-1900000000-47b74d6a63eeffd609f6
    0 references
    splash10-014i-0900000000-013761ac667142f268ae
    0 references
    splash10-0159-4940000000-e118bd5cdfb9945b4351
    0 references
    MassBank accession ID English
    SM883402
    0 references
    EA034401
    0 references
    EA034402
    0 references
    EA034403
    0 references
    EA034404
    0 references
    EA034405
    0 references
    EA034406
    0 references
    EA034407
    0 references
    EA034408
    0 references
    EA034409
    0 references
    EA034410
    0 references
    EA034411
    0 references
    EA034412
    0 references
    EA034413
    0 references
    EA034414
    0 references
    AICS Chemical ID
    22267
    0 references
    DSSTOX compound identifier English
    DTXCID3012315
    0 references
    Google Knowledge Graph identifier
    /g/121yb5rd
    0 references
    HSDB ID English
    8454
    1 reference
    stated in
    Hazardous Substances Data Bank
    HSDB ID English
    8454
    publication date
    28 October 2019
    title
    4,5-Dichloro-2-octyl-3-isothiazolone (English)
    retrieved
    10 May 2021
    ZVG number English
    150665
    0 references
    Commons category
    Dichlorooctylisothiazolinone
    0 references
     
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