| Identification | More | [Name]
2,4-Dinitrochlorobenzene | [CAS]
97-00-7 | [Synonyms]
1,3-dinitro-4-chlorobenzene
1-CHLORO-2,4-DINITROBENZENE
2,4 DINITRO-1-CHLOROBENZENE
2,4-DINITROCHLOROBENZENE
4-Chloro-1，3-dinitrobenzene
CDN
Chlorodinitrobenzene
dinitrochlorobenzene
1-Chloor-2,4-dinitrobenzeen
1-Chlor-2,4-dinitrobenzene
1-chloro-2,4-dinitrobenzeen
1-chloro-2,4-dinitro-benzen
1-Chloro-2,4-dinitrobenzol
1-Cloro-2,4-dinitrobenzene
2,4-Dinitrophenyl chloride
2,4-dinitrophenylchloride
2,4-dlnitrochlorobenzene
6-Chloro-1,3-dinitrobenzene
Benzene,1-chloro-2,4-dinitro-
Cdnb | [EINECS(EC#)]
202-551-4 | [Molecular Formula]
C6H3ClN2O4 | [MDL Number]
MFCD00007075 | [Molecular Weight]
202.55 | [MOL File]
97-00-7.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow crystals with an almond odour | [Melting point ]
48-50 °C(lit.)
| [Boiling point ]
315 °C(lit.)
| [density ]
314 | [vapor density ]
6.98 (vs air)
| [vapor pressure ]
1 hPa (106 °C) | [refractive index ]
1.5857 | [Fp ]
367 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
alcohol: very slightly soluble (cold)(lit.) | [form ]
Crystalline Mass, Chunks or Crystals and Powder | [color ]
Yellow to brown | [Odor]
Almond-like | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents, ammonia. Reacts violently with hydrazine hydrate. | [explosive limit]
1.9-22%(V) | [Water Solubility ]
insoluble | [Merck ]
14,2136 | [BRN ]
613161 | [Contact allergens]
This substance is one of the strongest primary skin irritants known, and a universal contact allergen. Occupational dermatitis has been reported, but current use is decreasing or performed with completely closed systems. DNCB is sometimes used for topical treatment of alopecia areata, severe warts, and cutaneous metastasis of malignant melanoma | [LogP]
2.24 at 23.3℃ and pH3.5-5.5 | [CAS DataBase Reference]
97-00-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1-chloro-2,4-dinitro-(97-00-7) | [EPA Substance Registry System]
97-00-7(EPA Substance) |
| Hazard Information | Back Directory | [Chemical Properties]
yellow crystals with an almond odour | [Uses]
1-Chloro-2,4-dinitrobenzene is a benzene derivative and is used in biochemical research as a substrate for glutathione S-transferase. | [Definition]
ChEBI: A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2and 4-positions. | [General Description]
Pale yellow needles, almond odor. | [Reactivity Profile]
Self-reactive, [Halpern, Chem. and Eng. News, 29:2666(1951)]. The mixture of this compound with hydrazine hydrate caused a violent reaction. | [Hazard]
Toxic by ingestion, inhalation, and skin
absorption. Combustible. Upper explosive limit
22%. A skin irritant. | [Health Hazard]
TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. | [Fire Hazard]
Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. | [Production Methods]
Although chlorobenzene can be dinitrated directly, this results in unnecessary isomer problems. 4-Chloronitrobenzene is usually nitrated with mixed acid (35/65) at 60 ℃ to give the pure dinitro isomer. However, 2- chloronitrobenzene can be nitrated to produce 2,4-Dinitrochlorobenzene, together with ca. 10 wt % of the isomeric 2- chloro- 1,3-dinitrobenzene. This may be separated for disposal, but the mixed isomers are preferably used directly if tolerated by the end product (e.g., sulfur dyes). | [Purification Methods]
Usually it is recrystallised from EtOH or MeOH. It has also been crystallised from Et2O, *C6H6, *C6H6/pet ether or isopropyl alcohol. A preliminary purification step is to pass its solution in *benzene through an alumina column. It has also been purified by zone refining. It exists in three forms: one stable and two unstable. The stable form crystallises as yellow needles from Et2O, m 51o, b 315o/760mm with some decomposition, and is soluble in EtOH. A labile form also crystallises from Et2O, m 43o, and is more soluble in organic solvents. The second labile form has m 27o. [Hoffman & Dame, J Am Chem Soc 41 1015 1919, Welsh J Am Chem Soc 63 3276 1941, J Chem Soc 2476 1957, Beilstein 5 IV 744.] |
| Safety Data | Back Directory | [Hazard Codes ]
T,N | [Risk Statements ]
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R33:Danger of cumulative effects.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
UN 3441 6.1/PG 2
| [WGK Germany ]
2
| [RTECS ]
CZ0525000
| [Autoignition Temperature]
464 °C | [Hazard Note ]
Toxic | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
II | [HS Code ]
29049020 | [Safety Profile]
Poison by skin contact
and intraperitoneal routes. Moderately toxic
by ingestion. A severe human skin and eye
irritant. Acts as a primary irritant as well as a
sensitizer of skin. An allergen. Mutation data
reported. Combustible when exposed to
heat or flame. A moderate explosion hazard
when exposed to flame, sparks, heated to
1 50°, or when shocked in a sealed container.
Explosive reaction with ammonia at
17O℃/40 bar. To fight fire, use CO2, dry
chemical. Reacts violently with hydrazine
sulfate or hydrazine hydrate. See also
NITRO COMPOUNDS of AROMATIC
HYDROCARBONS. | [Hazardous Substances Data]
97-00-7(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 640 mg/kg LD50 dermal Rabbit 130 mg/kg |
|