4-Nitrobenzoic acid

Modify Date: 2025-08-20 17:36:58

4-Nitrobenzoic acid Structure
4-Nitrobenzoic acid structure
Common Name 4-Nitrobenzoic acid
CAS Number 62-23-7 Molecular Weight 167.119
Density 1.5±0.1 g/cm3 Boiling Point 359.1±25.0 °C at 760 mmHg
Molecular Formula C7H5NO4 Melting Point 237-240 °C(lit.)
MSDS Chinese USA Flash Point 166.5±11.6 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 4-nitrobenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 359.1±25.0 °C at 760 mmHg
Melting Point 237-240 °C(lit.)
Molecular Formula C7H5NO4
Molecular Weight 167.119
Flash Point 166.5±11.6 °C
Exact Mass 167.021851
PSA 83.12000
LogP 1.89
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.615
InChIKey OTLNPYWUJOZPPA-UHFFFAOYSA-N
SMILES O=C(O)c1ccc([N+](=O)[O-])cc1
Stability Stable. Combustible. Incompatible with strong oxidizing agents, cyanides, strong bases.
Water Solubility <0.1 g/100 mL at 26 ºC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH5075000
CHEMICAL NAME :
Benzoic acid, p-nitro-
CAS REGISTRY NUMBER :
62-23-7
LAST UPDATED :
199701
DATA ITEMS CITED :
26
MOLECULAR FORMULA :
C7-H5-N-O4
MOLECULAR WEIGHT :
167.13
WISWESSER LINE NOTATION :
WNR DVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1960 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1210 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1960 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
880 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - aggression
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
770 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - aggression
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1470 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - aggression
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
11760 mg/kg/14D-C
TOXIC EFFECTS :
Blood - normocytic anemia Blood - methemoglobinemia-carboxyhemoglobin Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10400 mg/kg/13W-C
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Blood - changes in spleen
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 gm/kg/14D-C
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in thymus weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
11050 mg/kg/13W-C
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
45063 mg/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
1 gm/L
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 9,269,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 2 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83217 No. of Facilities: 32 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 396 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83217 No. of Facilities: 3573 (estimated) No. of Industries: 31 No. of Occupations: 46 No. of Employees: 42700 (estimated) No. of Female Employees: 12407 (estimated)

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H319
Precautionary Statements P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful
Risk Phrases R22
Safety Phrases S26-S39-S24/25
RIDADR NONH for all modes of transport
WGK Germany 1
RTECS DH5075000
HS Code 29163900

 Synthetic Route

 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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 4-Nitrobenzoic acidBioassay

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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Toxicity in po dosed Rattus norvegicus (rat)
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3059484
Name: log LD50 was determined
Source: ChEMBL
Target: N/A
External Id: CHEMBL643455
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Concentration of the drug in the kidney of rat
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL643456
Name: Concentration of the drug in the liver of rat
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL643457
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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 Synonyms

p-Nitrobenzenecarboxylic acid
Nitrobenzoic acid
p-nitrobenzoic acid
4-Nitrobenzenecarboxylic acid
PARA-NITROBENZOIC ACID
EINECS 200-526-2
MFCD00007352
4-Nitrobenzoic Acid
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