Substances (GSRS)

1-CHLORO-2-PROPANONE

Also: 1-CHLORO-2-PROPANONE [HSDB], CHLOROACETONE [MI], Chloroacetone +2

chemicalUNII 60ZTR74268
Open FDA's page for this record
Substance class
chemical
Definition type
PRIMARY
Definition level
COMPLETE
Uuid
859dc7df-bc1d-483e-953b-476e69269e0c
Version
9
UNII
60ZTR74268
Codes
  1. Uuid
    2081713b-c8f9-4055-bdec-0ee61db31afa
    Code
    78-95-5
    Type
    PRIMARY
    Url
    https://commonchemistry.cas.org/detail?cas_rn=78-95-5
    Code system
    CAS
    References
    01cfb1f8-cc73-4c11-bd7b-46e0095eddf5, 1ab2ad27-6299-4e78-94bc-f255a1e0fa74
  2. Uuid
    7f2f6fd9-a777-4172-85ec-666093b4ab58
    Code
    C006973
    Type
    PRIMARY
    Url
    http://www.ncbi.nlm.nih.gov/mesh/67006973
    Code system
    MESH
    References
    01cfb1f8-cc73-4c11-bd7b-46e0095eddf5
  3. Uuid
    1f47101c-b73a-4f23-b0aa-b3661583ee7e
    Code
    CHLOROACETONE
    Type
    PRIMARY
    Url
    https://en.wikipedia.org/wiki/Chloroacetone
    Code system
    WIKIPEDIA
    References
    01cfb1f8-cc73-4c11-bd7b-46e0095eddf5
  4. Uuid
    cf552105-e000-4ffa-898b-67702ba1ad1d
    Code
    201-161-1
    Type
    PRIMARY
    Url
    https://echa.europa.eu/substance-information/-/substanceinfo/100.001.056
    Code system
    ECHA (EC/EINECS)
    References
    01cfb1f8-cc73-4c11-bd7b-46e0095eddf5
  5. Uuid
    47ee1c27-dd84-41be-9d40-ab516a07f58e
    Code
    m3384
    Comments
    Merck Index
    Type
    PRIMARY
    Url
    https://merckindex.rsc.org/monographs/m3384?q=authorize
    Code system
    MERCK INDEX
    References
    01cfb1f8-cc73-4c11-bd7b-46e0095eddf5
  6. Uuid
    2114bac8-5fac-4b90-b40b-969e23b34882
    Code
    6571
    Type
    PRIMARY
    Url
    https://pubchem.ncbi.nlm.nih.gov/compound/6571
    Code system
    PUBCHEM
    References
    01cfb1f8-cc73-4c11-bd7b-46e0095eddf5
  7. Uuid
    088498dc-9589-339c-23b6-0f08399af07a
    Code
    1070
    Type
    PRIMARY
    Url
    https://pubchem.ncbi.nlm.nih.gov/source/hsdb/1070
    Code system
    HSDB
    References
    ca071a61-8c90-93bf-b2ac-b4d1ad8afb3d
  8. Uuid
    f6e83113-896f-b631-12a9-f05024baa619
    Code
    DTXSID0021547
    Type
    PRIMARY
    Url
    https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021547
    Code system
    EPA CompTox
    References
    85feab62-c95c-cfbd-6753-e7a69d8d16fe
  9. Uuid
    4b650cdf-38be-4e15-98b1-ecce75f316f0
    Code
    60ZTR74268
    Type
    PRIMARY
    Code system
    FDA UNII
  10. Uuid
    1344d6fe-2772-3a75-525d-0e34bf71a3d6
    Code
    47220
    Type
    PRIMARY
    Url
    https://www.ebi.ac.uk/chebi/chebiOntology.do?chebiId=CHEBI:47220
    Code system
    CHEBI
    References
    9286e167-7079-bb6b-39e4-111cf149b21e
  11. Uuid
    83390da0-7de4-970e-791e-7229055412bf
    Code
    30673
    Type
    PRIMARY
    Url
    https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=30673
    Code system
    NSC
    References
    4c463be7-6a83-e93d-ddcc-3a7a790d90bd
Names
  1. Uuid
    60eb2ea5-cffe-ee63-21b3-0f3f7640f59a
    Name
    1-CHLORO-2-PROPANONE
    StdName
    1-CHLORO-2-PROPANONE
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    af59c61a-a12a-9237-1820-50d869a13bdc
  2. Uuid
    df0bbd37-5485-4f6c-ba65-179aebfb15e5
    Name
    1-CHLORO-2-PROPANONE [HSDB]
    StdName
    1-CHLORO-2-PROPANONE [HSDB]
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    bee575d8-5669-47b5-a030-48bea6fab7c1, 23abc520-fba2-4bba-95ce-5cb255adf29f
  3. Uuid
    d391c001-cbe5-4150-afa2-703343520aaa
    Name
    CHLOROACETONE [MI]
    StdName
    CHLOROACETONE [MI]
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    23abc520-fba2-4bba-95ce-5cb255adf29f, 626d9596-43a0-463c-9193-97ea3422a65c
  4. Uuid
    86149e75-75f7-4ccb-b2e0-2a5156b1d857
    Name
    Chloroacetone
    StdName
    CHLOROACETONE
    Type
    sys
    Preferred
    false
    Display name
    true
    Languages
    en
    References
    f57a28a9-4cbb-4b58-9665-f0cf67617cff, 23abc520-fba2-4bba-95ce-5cb255adf29f, adf6eb1c-b502-4f9d-bf11-ab70355781d6, 626d9596-43a0-463c-9193-97ea3422a65c
  5. Uuid
    8554823e-de95-4d0c-aca9-2f48c62eac41
    Name
    MONOCHLOROACETONE
    StdName
    MONOCHLOROACETONE
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    23abc520-fba2-4bba-95ce-5cb255adf29f, 170b4003-0393-46e5-8481-ae0903bd5d26
  6. Uuid
    0a4e3216-944d-4b9a-ba29-ff51a72ceb4e
    Name
    NSC-30673
    StdName
    NSC-30673
    Type
    cd
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    23abc520-fba2-4bba-95ce-5cb255adf29f, 8c80700b-6521-47ea-b7d9-fd3c8b4b4d3f
References
  1. Uuid
    adf6eb1c-b502-4f9d-bf11-ab70355781d6
    Citation
    ICSAS BATCH 2010
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
  2. Uuid
    626d9596-43a0-463c-9193-97ea3422a65c
    Citation
    MERCK INDEX
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  3. Uuid
    23abc520-fba2-4bba-95ce-5cb255adf29f
    Citation
    MERCK INDEX
    Doc type
    MERCK INDEX
    Public domain
    true
    Tags
    NOMEN
  4. Uuid
    bee575d8-5669-47b5-a030-48bea6fab7c1
    Citation
    HSDB
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  5. Uuid
    170b4003-0393-46e5-8481-ae0903bd5d26
    Citation
    CFSAN
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  6. Uuid
    8c80700b-6521-47ea-b7d9-fd3c8b4b4d3f
    Citation
    CHEMID
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  7. Uuid
    01cfb1f8-cc73-4c11-bd7b-46e0095eddf5
    Citation
    SRS CODE IMPORT
    Doc type
    SRS
    Public domain
    true
    Document date
    1493390898000
    Tags
    NOMEN
  8. Uuid
    716fb72a-8246-4eb7-b9d5-b9898911d3db
    Citation
    SRS import [60ZTR74268]
    Url
    http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=60ZTR74268
    Doc type
    SRS
    Public domain
    true
    Document date
    1493390898000
    Tags
    NOMEN
  9. Uuid
    96700fde-bb21-48c7-a068-c78edbf4775a
    Citation
    CHEMID 2010
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  10. Uuid
    f57a28a9-4cbb-4b58-9665-f0cf67617cff
    Citation
    CHLOROACETONE [MI]
    Doc type
    SRS_LOCATOR
    Public domain
    true
  11. Uuid
    ca071a61-8c90-93bf-b2ac-b4d1ad8afb3d
    Citation
    WEBSITE
    Url
    https://toxnet.nlm.nih.gov/cgi-bin/sis/search2/r?dbs+hsdb:@term+@rn+@rel+78-95-5
    Doc type
    WEBSITE
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE
  12. Uuid
    85feab62-c95c-cfbd-6753-e7a69d8d16fe
    Citation
    WEBSITE
    Url
    https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=78-95-5
    Doc type
    WEBSITE
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE
  13. +4 more not shown
Moieties
  1. Uuid
    4029ec1d-e674-4e37-842a-6ea6ed604df8
    ID
    4029ec1d-e674-4e37-842a-6ea6ed604df8
    Smiles
    CC(=O)CCl
    Formula
    C3H5ClO
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    ACHIRAL
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    92.5243
    Optical activity
    NONE
    Stereo centers
    0
    Molfile

    CDK 07222418232D 5 4 0 0 0 0 0 0 0 0999 V2000 23.9200 -9.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9200 -8.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2710 -7.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5690 -7.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5690 -5.7460 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    320409b9-c714-4141-992f-1d09dc59b570
Structure
ID
f2ecf1a5-9a29-470d-b095-0afcb73a2d8f
Smiles
CC(=O)CCl
Formula
C3H5ClO
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
92.5243
Optical activity
NONE
Stereo centers
0
Molfile

JSDraw207222418232D 5 4 0 0 0 0 0 V2000 23.9200 -9.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9200 -8.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2710 -7.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5690 -7.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5690 -5.7460 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 M END

References
96700fde-bb21-48c7-a068-c78edbf4775a, 716fb72a-8246-4eb7-b9d5-b9898911d3db
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