| Identification | More | [Name]
3,4-Dichloronitrobenzene | [CAS]
99-54-7 | [Synonyms]
1,2-DICHLORO-4-NITROBENZENE
3,4-DCNB
3,4-DICHLORO-1-NITROBENZENE
3,4-DICHLORONITROBENZENE
ASYM-NITRO-O-DICHLOROBENZENE
LABOTEST-BB LT00436959
1,2-dichloro-4-nitro-benzen
1-Nitro-3,4-dichlorobenzene
3,4-dichlornitrobenzen
3,4-dichloronitrobenzen(czech)
ai3-03268(usda)
dichloro-1,2nitro-4benzene
3,4-DICHLORONITROBENZENE PESTANAL
3,4-Dichlornitrobenzene
4-Chloro-o-dichlorobenzene
1,2-Dichloro-4-nitrobenzene,99%
Benzene, 1,2-dichloro-4-nitro-
3,4-Dichlor-1-nitrobenzol
3，4-Dichluoronitrobenzene
3,4-Dichloronitrobenzene, asym.-Nitro-o-dichlorobenzene | [EINECS(EC#)]
202-764-2 | [Molecular Formula]
C6H3Cl2NO2 | [MDL Number]
MFCD00007207 | [Molecular Weight]
192 | [MOL File]
99-54-7.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless to yellow crystals or beige powder | [Melting point ]
39-41 °C(lit.) | [Boiling point ]
255-256 °C(lit.) | [bulk density]
750kg/m3 | [density ]
1.48 g/cm3 (55℃) | [vapor pressure ]
0.01 hPa (20 °C) | [refractive index ]
1.5929 (estimate) | [Fp ]
255 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
0.151g/l | [form ]
Crystalline Mass | [color ]
Yellow to brown | [Stability:]
Stable. Incompatible with strong oxidizing agents, strong bases. | [Water Solubility ]
151 mg/L (20 ºC) | [FreezingPoint ]
30~31℃ | [BRN ]
1818163 | [Henry's Law Constant]
1.2×100 mol/(m3Pa) at 25℃, Altschuh et al. (1999) | [InChI]
1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H | [InChIKey]
NTBYINQTYWZXLH-UHFFFAOYSA-N | [SMILES]
[O-][N+](=O)c1ccc(Cl)c(Cl)c1 | [CAS DataBase Reference]
99-54-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1,2-dichloro-4-nitro-(99-54-7) | [EPA Substance Registry System]
99-54-7(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,N | [Risk Statements ]
R22:Harmful if swallowed.
R36:Irritating to the eyes.
R43:May cause sensitization by skin contact.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S39:Wear eye/face protection . | [RIDADR ]
2811 | [WGK Germany ]
3
| [RTECS ]
CZ5250000
| [Autoignition Temperature]
420 °C | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
9 | [PackingGroup ]
III | [HS Code ]
29049085 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Sens. 1 | [Hazardous Substances Data]
99-54-7(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 643 mg/kg LD50 dermal Rat > 2000 mg/kg |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
1,2-Dichlorobenzene-->4-Chloronitrobenzene-->2,5-Dinitroaniline-->3,4-DICHLOROPHENYLBORONIC ACID, PINACOL ESTER-->2,3-Dichloro-6-nitrobenzonitrile-->2,3-Dichloro-6-nitrobenzaldehyde-->2,3,4-TRICHLORONITROBENZENE-->2-Chloro-5-nitrobenzoic acid-->2,3-Dichlorobenzaldehyde-->1,2,4-Trichloro-5-nitrobenzene-->2,3-Dichloronitrobenzene-->1-Chloro-3-nitrobenzene-->2,5-Dichloronitrobenzene | [Preparation Products]
Norfloxacin-->3,4-Dichloroaniline-->2-Chloro-4-nitrophenol-->Propanil-->Diuron-->3-CHLORO-4-PHENOXYANILINE-->2,4-Dinitrophenol-->Rafoxanide |
| Hazard Information | Back Directory | [General Description]
Colorless crystals or light beige solid. | [Reactivity Profile]
Can react vigorously with oxidizing materials. | [Air & Water Reactions]
Insoluble in water. | [Fire Hazard]
This chemical is combustible. | [Chemical Properties]
colourless to yellow crystals or beige powder | [Uses]
1,2-Dichloro-4-nitrobenzene is an intermediate in the synthesis of agrochemicals. Studies have been conducted to use 1,2-Dichloro-4-nitrobenzene as an organic intermediate for the synthetic preparati
on of ciprofloxacin (C482500). | [Uses]
1,2-Dichloro-4-nitrobenzene is an intermediate in the synthesis of agrochemicals. Studies have been conducted to use 1,2-Dichloro-4-nitrobenzene as an organic intermediate for the synthetic preparation of ciprofloxacin (C482500). | [Production Methods]
Nitration of 1,2-dichlorobenzene with mixed acid at 35 – 60 ℃ results in a mixture of 3-nitro (10 %) and 4-nitro (90 %) isomers, which are separated by crystallization. A more expensive process (two stages from chlorobenzene) is based on chlorination of molten 4-chloronitrobenzene (90 – 100 ℃) by a process similar to that used for 3- chloronitrobenzene production. Chlorination has the advantage of giving a pure product, but it cannot be used if the isomeric 1,2-dichloro-3-nitrobenzene is also required. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 42, p. 3494, 1977 DOI: 10.1021/jo00442a009 | [Flammability and Explosibility]
Nonflammable | [Purification Methods]
Crystallise it from absolute EtOH. [Beilstein 5 IV 726.] |
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