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ChemicalBook--->CAS DataBase List--->122-04-3

122-04-3

122-04-3 Structure

122-04-3 Structure
IdentificationMore
[Name]

4-Nitrobenzoyl chloride
[CAS]

122-04-3
[Synonyms]

4-NITROBENZOIC ACID CHLORIDE
4-NITROBENZOYL CHLORIDE
LABOTEST-BB LT00077260
NITROBENZOYL-4 CHLORIDE
P-NITROBENZOYL CHLORIDE
4-nitro-benzoylchlorid
Benzoyl chloride, 4-nitro-
Benzoyl chloride, p-nitro-
Benzoylchloride,4-nitro-
Nitrobenzoyl chloride, 4-
p-Nitrobenzoic acid chloride
p-nitrobenzoicacidchloride
p-nitro-benzoylchlorid
PNBC
p-Nitro Benzoyl Chloride 4-Nitro Benzoyl Chloride
paraNitro Benzoyl Chloride
4-NitrobenzoylChloride99%
4-Nitrobenzoyl
4-Nitrobenzoic acid chloran hydride
4-Nitrobenzenecarbonyl chloride
[EINECS(EC#)]

204-517-4
[Molecular Formula]

C7H4ClNO3
[MDL Number]

MFCD00007345
[Molecular Weight]

185.56
[MOL File]

122-04-3.mol
Chemical PropertiesBack Directory
[Appearance]

yellow needles or powder
[Melting point ]

71-74 °C (lit.)
[Boiling point ]

202-205 °C/105 mmHg (lit.)
[density ]

1.53
[refractive index ]

1.5890 (estimate)
[Fp ]

102 °C
[storage temp. ]

Store below +30°C.
[solubility ]

Soluble in terahydrofuran, dichloromethane, chloroform and pyridine.
[form ]

Flakes or Crystals
[color ]

Yellow
[Odor]

pungent odor
[Stability:]

Stable, but moisture sensitive. Combustible. Incompatible with water, alcohols, strong oxidizing agents, strong bases.
[Water Solubility ]

Decomposes
[Sensitive ]

Moisture Sensitive
[Merck ]

14,6590
[BRN ]

473192
[InChIKey]

SKDHHIUENRGTHK-UHFFFAOYSA-N
[CAS DataBase Reference]

122-04-3(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Nitrobenzoic acid chloride(122-04-3)
[EPA Substance Registry System]

122-04-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

2
[RTECS ]

DM6651000
[F ]

9-19-21
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29163900
[Safety Profile]

Moderately toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and Cl-. See also NITRO COhlPOUNDS OF AROMATIC HYDROCARBONS and CHLORIDES.
[Toxicity]

LD50 orally in Rabbit: 5600 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Thionyl chloride-->Phosphorus oxychloride-->4-Nitrobenzoic acid
[Preparation Products]

4-Nitroacetophenone-->1,3-Dichloro-4-fluorobenzene-->Fipronil-->1,4-Dinitronaphthalene-->4-Benzoyl Acetanilide-->p-Aminobenzamide-->N-(p-Aminobenzoyl)glutamic acid-->Procainamide hydrochloride-->Butethamine-->N-(2-(2-DIETHYLAMINO)ETHYL)-4-NITROBENZAMIDE-->P-NITROBENZOYL-L-GLUTAMIC ACID-->4-FLUORO-4'-NITROBENZOPHENONE-->7-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-ylthio)methyl]-3-cephem-4-carboxylic Acid-->AURINTRICARBOXYLIC ACID-->Otilonium bromide-->4,4'-Diaminobenzanilide-->TRIMETHYLENE BIS(4-AMINOBENZOATE)-->4-AZIDOBENZOIC ACID-->CI 36900-->trisodium [7-[[4-[[4-[[4-[[2,4-dihydroxy-5-[(2-hydroxy-5-sulphophenyl)azo]phenyl]azo]benzoyl]amino]-o-tolyl]azo]-o-tolyl]azo]naphthalene-1,3-disulphonato(5-)]cuprate(3-)
Hazard InformationBack Directory
[General Description]

Yellow needles or powder with a pungent odor.
[Reactivity Profile]

P-NITROBENZOYL CHLORIDE(122-04-3) is incompatible with bases (including amines), with strong oxidizing agents, and with alcohols. May react with reducing agents. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
[Air & Water Reactions]

Unstable in moist surroundings and should be kept in a tightly-closed container. React with water or steam .
[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]

Flash point data are not available for this chemical, but P-NITROBENZOYL CHLORIDE is combustible.
[Chemical Properties]

yellow needles or powder
[Uses]

4-Nitrobenzoyl chloride is used in the preparation of polysubstituted furanonaphthoquinoines. It is also involved in Michael addition, Henry reaction, O-alkylation and cycloaddition reactions. Further, it is employed as an intermediate in active pharmaceutical ingredient and dyes.
[Uses]

4-Nitrobenzoyl Chloride is used inorganic syntheses such as Michael additions. Also used in the synthesis of polysubstituted furanonaphthoquinoines.
[Purification Methods]

Crystallise the acid chloride from dry pet ether (b 60-80o), *C6H6 or CCl4. Distil it under vacuum. Irritant. [Adama & Jenkins Org Synth Coll Vol I 394 1941, Beilstein 9 III 1709, 9 IV 1191.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Nitrobenzoic acid chloride(122-04-3).msds
Spectrum DetailBack Directory
[Spectrum Detail]

4-Nitrobenzoyl chloride(122-04-3)MS
4-Nitrobenzoyl chloride(122-04-3)1HNMR
4-Nitrobenzoyl chloride(122-04-3)13CNMR
4-Nitrobenzoyl chloride(122-04-3)IR1
4-Nitrobenzoyl chloride(122-04-3)Raman
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