4-Chloro-3-nitrobenzoic acid

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Names

[ CAS No. ]:
96-99-1

[ Name ]:
4-Chloro-3-nitrobenzoic acid

[Synonym ]:
4-Chloro-3-nitrobenzoic acid
MFCD00007079
Benzoic acid, 4-chloro-3-nitro-
EINECS 202-550-9
3-Nitro-4-chlorobenzoic acid

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
371.6±27.0 °C at 760 mmHg

[ Melting Point ]:
180-183 °C(lit.)

[ Molecular Formula ]:
C7H4ClNO4

[ Molecular Weight ]:
201.564

[ Flash Point ]:
178.5±23.7 °C

[ Exact Mass ]:
200.982880

[ PSA ]:
83.12000

[ LogP ]:
2.37

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.628

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG5425050
CHEMICAL NAME :
Benzoic acid, 4-chloro-3-nitro-
CAS REGISTRY NUMBER :
96-99-1
BEILSTEIN REFERENCE NO. :
0783626
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C7-H4-Cl-N-O4
MOLECULAR WEIGHT :
201.57
WISWESSER LINE NOTATION :
WNR BG EVQ

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 :
3150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - wild bird species
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
500 ug/plate
REFERENCE :
SAIGBL Sangyo Igaku. Japanese Journal of Industrial Health. (Nippon Sangyo Eisei Igakkai, Kosu Eisei Bldg., 1-29-8, Shinjuku, Shinjuku-ku, Tokyo 160, Japan) V.1- 1959- Volume(issue)/page/year: 29,34,1987

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
DG5425050

[ HS Code ]:
2918990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Chlorobenzoic acid
  • 4-Chloro-3-nitrobenzoyl chloride
  • 4-(4-chloro-3-nitrophenyl)-4-oxobutanoic acid
  • 4-Chloro-3-nitrobenzonitrile
  • (4-nitrophenyl) 4-chloro-3-nitrobenzoate
  • 2-Nitrochlorobenzene
  • 4-n-butanoyl-2-nitrochlorobenzene
  • 1-chloro-4-(chloromethyl)-2-nitrobenzene
  • 4-Chloro-3-nitrobenzaldehyde
  • 4-Chloro-3-nitroaniline

DownStream

  • Ethyl 3-(4-(methylamino)-3-nitro-N-(pyridin-2-yl)benzamido)propanoate
  • 4-Chloro-3-nitrobenzoyl chloride
  • cyclohexyl 4-chloro-3-nitrobenzoate
  • 5-Amino-4-chlorosalicylic acid
  • 4-chloro-3-nitrobenzyl alcohol
  • 4-CHLORO-3-NITROBENZOPHENONE
  • 4-(Methylamino)-3-nitrobenzoic acid
  • 3-Amino-4-ethylbenzoicacid
  • 2,3,7,8-Tetrachlorodibenzofuran
  • 2,3,7,8-Tetrachlorodibenzo-p-dioxin

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%

Articles

Elastic and bendable caffeine cocrystals: implications for the design of flexible organic materials.

Angew. Chem. Int. Ed. Engl. 51(41) , 10319-23, (2012)

[Evaluation of the hepatotoxic activity of several chlor-nitro derivatives of benzoic acid].

Vopr. Med. Khim. 29(6) , 113-7, (1983)

Hepatotoxic effects of 4-chloro-3-nitrobenzoic acid (x-NBA), 3-nitrobenzoic acid (NBA) and 4-chlorobenzoic acid (CBA) were studied at the doses corresponding to LD50, 1/10 LD50 and 1/50 LD50. The toxi...

Preparation and antibacterial activity of copper and cobalt complexes of 4-chloro-3-nitrobenzoate with a nitrogen donor ligand.

Chem. Pharm. Bull. 55(3) , 446-50, (2007)

Copper and cobalt complexes with 4-chloro-3-nitrobenzoate (ClNBz) and the nitrogen ligands 1,3-diaminopropane (1,3-DAP) or o-phenylenediamine (o-PDA), were prepared and characterized. The complexes [C...


More Articles

Related Compounds

  • 4-chloro-3-nitrobenzoic acid morpholide
  • 4-Chloro-3-nitrobenzoic acid methyl ester
  • 4-chloro-3-nitrobenzoic acid tert-butyl ester
  • 4-Chloro-5-chlorosulphonyl-3-nitrobenzoic acid
  • 2-(4-chloro-3-methoxycarbonylphenyl)-4-nitrobenzoic acid
  • 2-(4-chloro-3-cyanophenyl)-4-nitrobenzoic acid
  • 1-{2-Hydroxy-5-[(trifluoromethyl)sulfonyl]phenyl}ethanone
  • 3-Amino-N-[2-(4-morpholinyl)ethyl]-2-butenamide
  • 4-(bromomethyl)-N-(4-chloro-3-(pyridin-2-yl)phenyl)benzamide
  • 5-(azidomethyl)-1-ethyl-1H-1,2,4-triazole
  • Benzenamine, 2-methoxy-5-methyl-4-(4-piperidinyl)-
  • Ethyl 7-(methylthio)chromane-2-carboxylate
  • (7-Bromo-5-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)methanol
  • 5-[(Tert-butoxy)carbonyl]pyrazine-2-carboxylic acid
  • 4-(Ethanesulfonyl)-2-methylbenzoic acid
  • [7-(Methylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-YL]methanol
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