Chloroquine Phosphate

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  • Identifiers

    CAS number
    50-63-5

    Molecular formula
    C18H32ClN3O8P2

    SMILES
    CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 72.55%
    Savory 27.84%
    Meaty 24.85%
    Fishy 22.95%
    Animal 22.41%
    Cooling 21.27%
    Cheesy 20.61%
    Cooked 18.04%
    Milky 17.13%
    Bitter 16.77%

     

    Flavor
    Odorless 56.79%
    Mild 42.77%
    Bland 25.26%
    Sour 23.31%
    Faint 21.32%
    Yeast 20.15%
    Bitter 20.13%
    Bay oil 19.88%
    Stinky 19.78%
    Sulfury 19.75%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    -441407.28 (strong acid)

    Molecular weight
    515.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1105°C

    Flash point

    • 331.22 ˚C est.

  • Synonyms

    • Chloroquine diphosphate
    • Chloroquine phosphate
    • 50-63-5
    • Resochin
    • Arechin
    • Chloroquine diphosphate salt
    • Avloclor
    • Tanakan
    • Aralen phosphate
    • Quingamine
    • Delagil
    • Miniquine
    • Tanakene
    • Chloroquine bis(phosphate)
    • Chlorochin diphosphate
    • Chloroquine (phosphate)
    • Chingamin phosphate
    • dl-Chloroquine diphosphate
    • Khingamin
    • Ipsen 225
    • NSC 14050
    • Aralen diphosphate
    • CCRIS 1554
    • Unikinon
    • Gontochin phosphate
    • Chloroquin diphosphate
    • EINECS 200-055-2
    • MFCD00069852
    • Chloroquine dihydrogen phosphate (1:2)
    • UNII-6E17K3343P
    • AI3-14952
    • N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine bis(phosphate)
    • NSC-14050
    • 6E17K3343P
    • SN-7618
    • WR-1522
    • DTXSID7044681
    • Chloroquine phosphate [USP:BAN]
    • 3377 RP
    • Chloroquine (phosphate) (Standard)
    • 50-63-5 (DIPHOSPHATE)
    • SN 7,618
    • 7-Chloro-4-((4-(diethylamino)-1-methylbutyl)amino)quinoline phosphate (1:2)
    • N4-(7-Chloro-4-quinolinyl)-N1,N1-dimethyl-1,4-pentanediamine diphosphate salt
    • 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:2)
    • N(4)-(7-Chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine, phosphate (1:2)
    • 1,4-Pentanediamine, N(sup 4)-(7-chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-, phosphate (1:2)
    • Chingaminum
    • Alermine
    • H-Stadur
    • 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N',N'-diethyl-, (+-)-, phosphate (1:2)
    • Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-, phosphate (1:2)
    • DTXCID5024681
    • Chloroquine phosphate (USP:BAN)
    • Tanakan (antimalarial)
    • CHLOROQUINE PHOSPHATE (MART.)
    • CHLOROQUINE PHOSPHATE [MART.]
    • CHLOROQUINE PHOSPHATE (USP-RS)
    • CHLOROQUINE PHOSPHATE [USP-RS]
    • 7-CHLORO-4-((4-(DIETHYLAMINO)-1-METHYLBUTYL)AMINO)QUINOLINE PHOSPHATE (1:2).
    • CHLOROQUINE PHOSPHATE (EP MONOGRAPH)
    • CHLOROQUINE PHOSPHATE [EP MONOGRAPH]
    • Chloroquinediphosphate
    • NSC14050
    • CHLOROQUINE PHOSPHATE (USP MONOGRAPH)
    • CHLOROQUINE PHOSPHATE [USP MONOGRAPH]
    • SR-01000075548
    • WR 1522
    • Chloroquindiphosphat
    • Chloroquinum Phos.
    • Chloroquini phosphas
    • Prestwick_867
    • Aralen (TN)
    • CAS-50-63-5
    • NCGC00015256-01
    • 7-Chlor-4-(4-(diaethylamino)-1-methylbutylamino)-chinolindiphosphat [German]
    • Chloroquine phosphate (USP)
    • SCHEMBL40827
    • CHEMBL58510
    • SPECTRUM1500179
    • HMS501E06
    • QKICWELGRMTQCR-UHFFFAOYSA-N
    • HMS1569N17
    • HMS1920O05
    • HMS2091C16
    • HMS2096N17
    • HMS3260L14
    • HMS3713N17
    • BCP31956
    • CHLOROQUINE DIPHOSPHATE [MI]
    • Tox21_110115
    • Tox21_202838
    • Tox21_500296
    • 7-Chlor-4-(4-(diaethylamino)-1-methylbutylamino)-chinolindiphosphat
    • CCG-39643
    • CHLOROQUINE PHOSPHATE [VANDF]
    • HB5073
    • HY-17589R
    • s4157
    • AKOS004910410
    • CHLOROQUINE PHOSPHATE [WHO-DD]
    • CHLOROQUINE PHOSPHATE [WHO-IP]
    • N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine; phosphoric acid
    • Quinoline, 7-chloro-4-(4-diethylamino-1-methyl-butylamino)-, diphosphate
    • Tox21_110115_1
    • CS-3811
    • DT-0015
    • FC20382
    • LP00296
    • NCGC00015256-12
    • NCGC00093746-01
    • NCGC00093746-02
    • NCGC00093746-03
    • NCGC00260384-01
    • NCGC00260981-01
    • AC-12463
    • CHLOROQUINE PHOSPHATE [GREEN BOOK]
    • HY-17589
    • SY021941
    • CHLOROQUINE PHOSPHATE [ORANGE BOOK]
    • CHLOROQUINI PHOSPHAS [WHO-IP LATIN]
    • DB-051808
    • C2301
    • Chloroquine diphosphate salt, solid, >=98%
    • CS-0695021
    • EU-0100296
    • NS00078674
    • C 6628

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.12
    methanol 0.85
    isopropanol 0.04
    water 201.15
    ethyl acetate 0.03
    n-propanol 0.07
    acetone 0.03
    n-butanol 0.08
    acetonitrile 0.02
    DMF 0.25
    toluene 0.01
    isobutanol 0.04
    1,4-dioxane 0.03
    methyl acetate 0.02
    THF 0.18
    2-butanone 0.03
    n-pentanol 0.07
    sec-butanol 0.04
    n-hexane 0.02
    ethylene glycol 1.43
    NMP 1.99
    cyclohexane 0.01
    DMSO 1.61
    n-butyl acetate 0.06
    n-octanol 0.05
    chloroform 0.04
    n-propyl acetate 0.04
    acetic acid 0.71
    dichloromethane 0.05
    cyclohexanone 0.08
    propylene glycol 0.6
    isopropyl acetate 0.04
    DMAc 0.67
    2-ethoxyethanol 0.53
    isopentanol 0.07
    n-heptane 0.03
    ethyl formate 0.07
    1,2-dichloroethane 0.03
    n-hexanol 0.09
    2-methoxyethanol 1.03
    isobutyl acetate 0.03
    tetrachloromethane 0.05
    n-pentyl acetate 0.08
    transcutol 0.91
    n-heptanol 0.13
    ethylbenzene 0.01
    MIBK 0.06
    2-propoxyethanol 0.76
    tert-butanol 0.05
    MTBE 0.01
    2-butoxyethanol 0.71
    propionic acid 0.17
    o-xylene 0.03
    formic acid 10.56
    diethyl ether 0.02
    m-xylene 0.03
    p-xylene 0.02
    chlorobenzene 0.01
    dimethyl carbonate 0.1
    n-octane 0.01
    formamide 4.7
    cyclopentanone 0.18
    2-pentanone 0.05
    anisole 0.02
    cyclopentyl methyl ether 0.1
    gamma-butyrolactone 0.29
    1-methoxy-2-propanol 0.63
    pyridine 0.03
    3-pentanone 0.05
    furfural 0.5
    n-dodecane 0.0
    diethylene glycol 2.35
    diisopropyl ether 0.02
    tert-amyl alcohol 0.06
    acetylacetone 0.11
    n-hexadecane 0.0
    acetophenone 0.06
    methyl propionate 0.05
    isopentyl acetate 0.06
    trichloroethylene 0.04
    n-nonanol 0.05
    cyclohexanol 0.07
    benzyl alcohol 0.06
    2-ethylhexanol 0.07
    isooctanol 0.1
    dipropyl ether 0.07
    1,2-dichlorobenzene 0.02
    ethyl lactate 0.32
    propylene carbonate 0.2
    n-methylformamide 0.3
    2-pentanol 0.05
    n-pentane 0.01
    1-propoxy-2-propanol 0.48
    1-methoxy-2-propyl acetate 0.18
    2-(2-methoxypropoxy) propanol 0.62
    mesitylene 0.03
    ε-caprolactone 0.12
    p-cymene 0.04
    epichlorohydrin 0.1
    1,1,1-trichloroethane 0.02
    2-aminoethanol 0.88
    morpholine-4-carbaldehyde 0.62
    sulfolane 1.67
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.05
    n-hexyl acetate 0.06
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.66
    sec-butyl acetate 0.03
    tert-butyl acetate 0.07
    decalin 0.01
    glycerin 5.92
    diglyme 0.85
    acrylic acid 0.36
    isopropyl myristate 0.03
    n-butyric acid 0.26
    acetyl acetate 0.05
    di(2-ethylhexyl) phthalate 0.1
    ethyl propionate 0.06
    nitromethane 0.27
    1,2-diethoxyethane 0.05
    benzonitrile 0.02
    trioctyl phosphate 0.09
    1-bromopropane 0.02
    gamma-valerolactone 0.35
    n-decanol 0.04
    triethyl phosphate 0.18
    4-methyl-2-pentanol 0.06
    propionitrile 0.02
    vinylene carbonate 0.15
    1,1,2-trichlorotrifluoroethane 1.19
    DMS 0.06
    cumene 0.02
    2-octanol 0.06
    2-hexanone 0.04
    octyl acetate 0.04
    limonene 0.04
    1,2-dimethoxyethane 0.29
    ethyl orthosilicate 0.17
    tributyl phosphate 0.09
    diacetone alcohol 0.39
    N,N-dimethylaniline 0.06
    acrylonitrile 0.03
    aniline 0.04
    1,3-propanediol 0.64
    bromobenzene 0.01
    dibromomethane 0.03
    1,1,2,2-tetrachloroethane 0.07
    2-methyl-cyclohexyl acetate 0.13
    tetrabutyl urea 0.18
    diisobutyl methanol 0.07
    2-phenylethanol 0.1
    styrene 0.01
    dioctyl adipate 0.05
    dimethyl sulfate 0.49
    ethyl butyrate 0.09
    methyl lactate 0.6
    butyl lactate 0.39
    diethyl carbonate 0.07
    propanediol butyl ether 0.75
    triethyl orthoformate 0.14
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 0.41
    morpholine 0.05
    tert-butylamine 0.02
    n-dodecanol 0.03
    dimethoxymethane 0.23
    ethylene carbonate 0.1
    cyrene 1.5
    2-ethoxyethyl acetate 0.1
    2-ethylhexyl acetate 0.05
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.02
    dibutyl ether 0.02
    2,6-dimethyl-4-heptanol 0.07
    DEF 0.14
    dimethyl isosorbide 1.29
    tetrachloroethylene 0.1
    eugenol 0.66
    triacetin 0.16
    span 80 0.46
    1,4-butanediol 0.35
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.07
    methyl formate 0.21
    2-methyl-1-butanol 0.07
    n-decane 0.01
    butyronitrile 0.02
    3,7-dimethyl-1-octanol 0.04
    1-chlorooctane 0.01
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.11
    tetrahydropyran 0.02
    tert-amyl methyl ether 0.03
    2,5,8-trioxanonane 0.8
    1-hexene 0.02
    2-isopropoxyethanol 0.24
    2,2,2-trifluoroethanol 1.09
    methyl butyrate 0.08

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction