4-Nitrobenzoyl chloride

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Names

[ CAS No. ]:
122-04-3

[ Name ]:
4-Nitrobenzoyl chloride

[Synonym ]:
4-Nitrobenzoyl chloride
p-NO2-PhCO3tBu
para-nitrobenzoyl chloride
4 NITRO BENZOYL CHLORIDE
P-NITRO BENZOYL CHLORIDE
EINECS 204-517-4
Benzoyl chloride,4-nitro
p-nitrobenzoyl chloride
Benzoyl chloride,p-nitro
4-Nitrobenzoic acid chloride
p-Nitrobenzoic acid chloride
4-(nitro)-benzoyl chloride
4-methyl-quinoline
4-Nitrobenzolcarbonylchlorid
4-NITROBENZOYL CHLORIDE FOR SYNTHESIS
4-Nitrobenzoylchloride
Benzoyl chloride, 4-nitro-
MFCD00007345

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
277.8±13.0 °C at 760 mmHg

[ Melting Point ]:
71-74 °C(lit.)

[ Molecular Formula ]:
C₇H₄ClNO₃

[ Molecular Weight ]:
185.565

[ Flash Point ]:
121.8±19.8 °C

[ Exact Mass ]:
184.987976

[ PSA ]:
62.89000

[ LogP ]:
2.17

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.589

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

[ Water Solubility ]:
Decomposes

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DM6651000

CHEMICAL NAME :: Benzoyl chloride, p-nitro-

CAS REGISTRY NUMBER :: 122-04-3

BEILSTEIN REFERENCE NO. :: 0473192

LAST UPDATED :: 199710

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C7-H4-Cl-N-O3

MOLECULAR WEIGHT :: 185.57

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5600 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness Behavioral - ataxia Behavioral - muscle contraction or spasticity

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3440 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness Behavioral - ataxia Behavioral - muscle contraction or spasticity

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 4750 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness Behavioral - ataxia Behavioral - muscle contraction or spasticity

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 16800 mg/kg/30D-I

TOXIC EFFECTS :: Blood - other changes

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 11830 ug/m3/4H/17W-I

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - other changes Blood - pigmented or nucleated red blood cells Blood - changes in spleen

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

DOSE :: 11830 ug/m3/4H

SEX/DURATION :: male 16 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 3 ug/plate

REFERENCE :: ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 9(Suppl 9),1,1987

Safety Information

[ Symbol ]:

GHS05

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
C:Corrosive

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
S26-S36/37/39-S45

[ RIDADR ]:
UN 3261 8/PG 2

[ WGK Germany ]:
2

[ RTECS ]:
DM6651000

[ Packaging Group ]:
II

[ Hazard Class ]:
8

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

4-Nitrobenzoic acid
Fluorouracil
potassium,4-nitrobenzoate
4-nitrobenzhydrazide
Oxalyl chloride
Benzoic acid, 4-nitro-,1,1-dimethylethyl ester
(p-nitrophenyl)chlorocarbene
4-Nitrobenzaldehyde
Pyridine

DownStream

(4-bromo-N-(4-nitrobenzoyl)anilino) acetate
N-(4-bromophenyl)-4-nitrobenzamide
Diazene,1,2-bis(4-bromophenyl)-, 1-oxide
2,3-EPOXY-3-METHYLBUTYLESTER-4-NITROBENZOATE
N-(3-aminophenyl)-4-nitrobenzamide
Benzoic acid, 4-nitro-,4-nitrophenyl ester
(2S,3S)-3-AMINO-2-HYDROXY-5-METHYL-HEXANOICACID
6-(4-nitrobenzoyl)-3H-1,3-benzoxazol-2-one
1-(2-hydroxy-5-methylphenyl)-3-(4-nitrophenyl)propane-1,3-dione
2-methyl-1-(4-nitrophenyl)propan-1-one

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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