1-Chloro-3-nitrobenzene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    121-73-3

    Molecular formula
    C6H4ClNO2

    SMILES
    C1=CC(=CC(=C1)Cl)[N+](=O)[O-]

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    floral 51.73%
    sweet 49.66%
    powdery 38.42%
    honey 37.98%
    phenolic 33.09%
    balsamic 30.67%
    odorless 30.32%
    animal 30.17%
    orangeflower 28.79%
    vanilla 28.01%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5 Well soluble in DEP, IAA, BB

    Molecular weight
    157.55 g/mol

    Melting point expt.

    • 115 °F (NTP, 1992)
    • 46 °C
    • Liquid molar volume = 0.117 cu m/kmol; IG Heat of Formation = 3.72X10+7 J/kmol; Heat of Fusion at melting point = 2.078X10+7 J/kmol
    • 44 °C

    Boiling point

    • 455 to 457 °F at 760 mmHg (NTP, 1992)
    • 236 °C at 760 mm Hg
    • 236 °C

    Flash point expt.

    • 261 °F (NFPA, 2010)
    • 127 °C
    • 261 °F (127 °C) (Closed cup)
    • 103 °C c.c.

    Solubility expt.

    • Insoluble (NTP, 1992)
    • Sparingly sol in cold alcohol; freely soluble in hot alcohol, chloroform, ether, carbon disulfide, and glacial acetic acid
    • Soluble in most organic solvents
    • In water, 0.273 g/L at 20 °C
    • Solubility in water at 20 °C: very poor

  • Synonyms

    • 1-Chloro-3-nitrobenzene
    • 121-73-3
    • m-Chloronitrobenzene
    • 3-Nitrochlorobenzene
    • m-Nitrochlorobenzene
    • 3-Chloronitrobenzene
    • BENZENE, 1-CHLORO-3-NITRO-
    • Chloro-m-nitrobenzene
    • 3-Chloro-1-nitrobenzene
    • Metachloronitrobenzene
    • 1-Chloro-3-nitro-benzene
    • NSC 5502
    • 8XSA3GF8O1
    • DTXSID4021971
    • CHEBI:82420
    • NSC-5502
    • DTXCID401971
    • 1-Nitro-3-chlorobenzene
    • CAS-121-73-3
    • CCRIS 3094
    • HSDB 1323
    • EINECS 204-496-1
    • UNII-8XSA3GF8O1
    • AI3-15386
    • MFCD00007202
    • meta-chloronitrobenzene
    • 3-chloro-nitro-benzene
    • Nitrobenzene, 3-chloro-
    • Nitrochlorobenzene, meta-
    • WLN: WNR CG
    • ghl.PD_Mitscher_leg0.940
    • SCHEMBL249999
    • CHEMBL166812
    • 1-Chloro-3-nitrobenzene, 95%
    • 1-Chloro-3-nitrobenzene, 98%
    • 1-Chloro-3-nitrobenzene[HSDB]
    • M-CHLORONITROBENZENE [MI]
    • NSC5502
    • CHLORO-3-NITROBENZENE, 1-
    • Tox21_201330
    • Tox21_302825
    • STL581862
    • AKOS000120747
    • Chloronitrobenzenes meta or para, solid
    • NCGC00091171-01
    • NCGC00091171-02
    • NCGC00256340-01
    • NCGC00258882-01
    • DB-315533
    • 1-Chloro-3-nitrobenzene, analytical standard
    • NS00008526
    • EN300-20947
    • C19364
    • E78964
    • 1-Chloro-3-nitrobenzene 100 microg/mL in Methanol
    • Q15298267
    • Chloronitrobenzenes meta or para, solid [UN1578] [Poison]
    • InChI=1/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4
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