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Substance Name: 4-Nitroaniline
RN: 100-01-6
UNII: 1MRQ0QZG7G
InChIKey: TYMLOMAKGOJONV-UHFFFAOYSA-N
Molecular Formula
- C6-H6-N2-O2
Molecular Weight
- 138.125
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Mutation Data
- Reproductive Effect
- TSCA Flag T (Subject to the Final TSCA Section 4 Test Rule)
- Tumor Data
Superlist Classification Codes
- Reportable Quantity (RQ) = 5000 lb
- TWA 1 ppm (6 mg/m3); skin
- TWA 3 mg/m3; skin; Not classifiable as a human carcinogen; BEI
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Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- 4-Nitroaniline
- p-Nitroaniline
Synonyms
- 1-Amino-4-nitrobenzene
- 4-Nitraniline
- 4-Nitroaniline
- 4-Nitrobenzenamine
- AI3-08926
- Aniline, 4-nitro-
- Aniline, p-nitro-
- Azoamine Red ZH
- Azofix Red GG Salt
- Azoic Diazo Component 37
- Benzenamine, 4-nitro-
- C.I. 37035
- C.I. Azoic Diazo Component 37
- C.I. Developer 17
- CCRIS 1184
- CI 37035
- CI Azoic Diazo Component 37
- CI Developer 17
- Developer P
- Devol Red GG
- Diazo Fast Red GG
- EC 202-810-1
- EINECS 202-810-1
- Fast Red 2G Base
- Fast Red 2G Salt
- Fast Red Base 2J
- Fast Red Base GG
- Fast Red GG Base
- Fast Red GG Salt
- Fast Red MP Base
- Fast Red P Base
- Fast Red P Salt
- Fast Red Salt 2J
- Fast Red Salt GG
- HSDB 1156
- Naphtoelan Red GG Base
- NCI-C60786
- Nitrazol CF Extra
- NSC 9797
- p-Aminonitrobenzene
- p-Nitraniline
- p-Nitroanilina
- p-Nitroanilina [Polish]
- p-Nitroaniline
- p-Nitrophenylamine
- para-Aminonitrobenzene
- para-Nitroaniline
- PNA
- PNA (VAN)
- RCRA waste number P077
- Red 2G Base
- Shinnippon Fast Red GG Base
- UNII-1MRQ0QZG7G
Systematic Names
- 4-Nitroaniline
- Aniline, p-nitro-
- Benzenamine, 4-nitro-
- p-Nitroaniline
Superlist Names
- Aniline, p-nitro-
- Benzenamine, 4-nitro-
- p-Nitroaniline
- p-Nitroaniline [UN1661] [Poison]
- RCRA waste no. P077
- UN1661
Registry Numbers
CAS Registry Number
- 100-01-6
FDA UNII
- 1MRQ0QZG7G
Other Registry Number
- 1309774-69-3
Related Registry Numbers
- 15873-51-5 (mono-hydrochloride)
- 38013-32-0 (sulfate[2:1])
- 66827-74-5 (mercury(2+) salt[2:1])
System Generated Number
- 0000100016
Structure Descriptors
InChI
InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2InChIKey
TYMLOMAKGOJONV-UHFFFAOYSA-NSmiles
Nc1ccc(cc1)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
bird - wild | LD50 | oral | 75mg/kg (75mg/kg) | Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. | |
guinea pig | LD50 | oral | 450mg/kg (450mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Voprosy Kommunal'noi Gigieny. Problems of Communal Hygiene. Vol. 6, Pg. 89, 1966. |
guinea pig | LD50 | skin | > 500mg/kg (500mg/kg) | National Technical Information Service. Vol. OTS0572389, | |
mammal (species unspecified) | LDLo | intravenous | 40mg/kg (40mg/kg) | BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN | U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 34, 1941. |
mouse | LD50 | intramuscular | 800mg/kg (800mg/kg) | Igiena. Vol. 15, Pg. 151, 1966. | |
mouse | LD50 | intraperitoneal | 250mg/kg (250mg/kg) | National Technical Information Service. Vol. AD691-490, | |
mouse | LD50 | oral | 810mg/kg (810mg/kg) | Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977. | |
quail | LD50 | oral | 1gm/kg (1000mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. | |
rat | LD50 | oral | 750mg/kg (750mg/kg) | Ceskoslovenska Hygiena. Czechoslovak Hygiene. Vol. 23, Pg. 168, 1978. | |
rat | LDLo | intraperitoneal | 600mg/kg (600mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 92, 1982. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 147 | deg C | EXP | |
Boiling Point | 332 | deg C | EXP | |
pKa Dissociation Constant | 1 | (none) | 25 | EXP |
log P (octanol-water) | 1.39 | (none) | EXP | |
Water Solubility | 728 | mg/L | 30 | EXP |
Henry's Law Constant | 1.26E-09 | atm-m3/mole | 25 | EXP |
Atmospheric OH Rate Constant | 1.35E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.