3-Nitroaniline

Modify Date: 2026-07-03 10:11:02

3-Nitroaniline Structure
3-Nitroaniline structure
 Common Name 3-Nitroaniline
CAS Number 99-09-2 Molecular Weight 138.124
Density 1.3±0.1 g/cm3 Boiling Point 307.0±15.0 °C at 760 mmHg
Molecular Formula C6H6N2O2 Melting Point 111-114 °C(lit.)
MSDS Chinese USA Flash Point 139.5±20.4 °C
Symbol GHS06 GHS08
GHS06, GHS08		 Signal Word Danger

 Names

Name 3-Nitroaniline
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 307.0±15.0 °C at 760 mmHg
Melting Point 111-114 °C(lit.)
Molecular Formula C6H6N2O2
Molecular Weight 138.124
Flash Point 139.5±20.4 °C
Exact Mass 138.042923
PSA 71.84000
LogP 1.37
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.634
InChIKey XJCVRTZCHMZPBD-UHFFFAOYSA-N
SMILES Nc1cccc([N+](=O)[O-])c1
Water Solubility 1.25 g/L

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BY6825000
CHEMICAL NAME :
Aniline, m-nitro-
CAS REGISTRY NUMBER :
99-09-2
LAST UPDATED :
199710
DATA ITEMS CITED :
14
MOLECULAR FORMULA :
C6-H6-N2-O2
MOLECULAR WEIGHT :
138.14
WISWESSER LINE NOTATION :
ZR CNW

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 :
535 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 :
Rodent - mouse
DOSE/DURATION :
308 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
70 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - quail
DOSE/DURATION :
562 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
420 mg/kg/28D-I
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in spleen weight Blood - normocytic anemia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2940 mg/kg/3W-I
TOXIC EFFECTS :
Blood - other changes Blood - changes in erythrocyte (RBC) count

MUTATION DATA

TYPE OF TEST :
DNA repair
TEST SYSTEM :
Bacteria - Bacillus subtilis
DOSE/DURATION :
5 mg/disc
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 170,11,1986

 Safety Information

Symbol GHS06 GHS08
GHS06, GHS08
Signal Word Danger
Hazard Statements H301-H311-H331-H373-H412
Precautionary Statements P261-P273-P280-P301 + P310-P311
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes T:Toxic;
Risk Phrases R23/24/25;R33;R52/53
Safety Phrases S28-S36/37-S45-S61-S28A
RIDADR UN 1661 6.1/PG 2
WGK Germany 2
RTECS BY6825000
Packaging Group II
Hazard Class 6.1
HS Code 29214210

 Synthetic Route

 Customs

HS Code 2921420090
Summary HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles1

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 3-NitroanilineBioassay

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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: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
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: 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
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
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 Synonyms

3-amino-nitrobenzene
Nitroaniline
3-nitrophenylamine
Nitranilin
3-Nitrobenzenamine
3-Aminonitrobenzene
Azobase MNA
Fast Orange Base R
m-nitroaniline
Benzenamine,3-nitro
Devol Orange R
meta-Nitroaniline
EINECS 202-729-1
MFCD00007782
3-NITRO-ANILINE
1-Amino-3-nitrobenzene
m-Nitrophenylamine
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