4-Chloro-3-nitrobenzoic acid
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
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
Precursor & DownStream
Precursor
DownStream
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
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...