Products Categories
| CAS No.: | 98-95-3 |
|---|---|
| Name: | Nitrobenzene |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5NO2 |
| Molecular Weight: | 124.119 |
| Synonyms: | Essence ofMirbane;Essence of Myrbane;Mirbane oil;NSC 9573;Nitrobenzol;Oil of Mirbane;Oil of Myrbane; |
| EINECS: | 202-716-0 |
| Density: | 1.216 g/cm3 |
| Melting Point: | 5-6 ºC(lit.) |
| Boiling Point: | 210.799 ºC at 760 mmHg |
| Flash Point: | 81.413 ºC |
| Solubility: | slightly soluble in water |
| Appearance: | yellow liquid |
| Hazard Symbols: |
 T, N, F
|
| Risk Codes: | 40-48-51/53-62-39/23/24/25-11-36/37/38 |
| Safety: | 28-36/37-45-61-16-7-27 |
| Transport Information: | UN 1662 6.1/PG 2 |
| PSA: | 45.82000 |
| LogP: | 2.11800 |
- 99170-93-1N-Methyl-2-oxazolamine
- 99724-17-1Dimethyl-pyrrolidin-3-ylmethyl-amine
- 99421-19-9ethyl 3-amino-6-chloro-5-cyano-2-methylisonicotinate
- 99689-20-02-Acetamido-3-O-(D-1-carboxyethyl)-2-deoxy-2-D-glucose Methyl Ester
- 99183-99-04-Chloro-7-methoxy-1-indanone, 97%
- 99070-23-24-(2-bromoethoxy)-3-methoxybenzaldehyde
- 99662-46-1triphenyl(2-pyridylmethyl)phosphonium chloride hy
- 99735-47-4((R)-1-((R)-1-phenylethyl)pyrrolidin-3-yl)methanol
- 99735-45-2(R)-methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate
- 99533-99-03'-MERCAPTOACETAMINOPHEN
- 143-19-1Sodium oleate
- 140-95-4Urea,N,N'-bis(hydroxymethyl)-
- 9002-68-0Follicle stimulating hormone
- 8001-58-9Creosote
- 7440-31-5Tin
- 10049-21-5Sodium dihydrogen phosphate monohydrate
- 74-55-51-Butanol,2,2'-(1,2-ethanediyldiimino)bis-, (2S,2'S)-
- 111-03-59-Octadecenoic acid(9Z)-, 2,3-dihydroxypropyl ester
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- Total:17 Page 1 of 1 1
What can I do for you?
Get Best Price
Consensus Reports
Standards and Recommendations
ACGIH TLV: TWA 1 ppm (skin); Animal Carcinogen; BEI: 5 mg/g creatinine of total p-nitrophenol in urine at end of shift at end of workweek
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans; BAT: 100 μg/L of aniline in blood after several shifts
DOT Classification: 6.1; Label: Poison
Analytical Methods
Specification
The Nitrobenzene, with the CAS registry number 98-95-3, is also known as Benzene,nitro-. It belongs to the product categories of Organics; N-O; NA - NI; NA - NIInternational Standards; NIOSH 2005: Analysis of Nitrobenzenes in Indoor Air; Alpha Sort; N; NIOSH and OSHA Methods; N-OAlphabetic; Volatiles/ Semivolatiles; ReagentPlus(R) Solvent Grade Products; ReagentPlus(R)Solvents; Analytical Reagents for General Use; M-N, Puriss p.a. ACS; Puriss p.a. ACS; ACS Grade Solvents; ACS Grade Solvents; Amber Glass Bottles; Solvent Bottles; 8000 Series Solidwaste Methods; Environmental Standards; ExplosivesEPA; Method 8330Alphabetic; NA - NIChromatography; Solid Waste. Its EINECS registry number is 202-716-0. This chemical's molecular formula is C6H5NO2 and molecular weight is 123.11. What's more, its IUPAC name is the same with its product name. Nitrobenzene is a water-insoluble pale yellow oil with an almond-like odor. This chemical freezes to give greenish-yellow crystals. It should be stored in a cool, dry and well-ventilated place.
Physical properties about Nitrobenzene are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.921; (4)ACD/LogD (pH 7.4): 1.921; (5)ACD/BCF (pH 5.5): 16.986; (6)ACD/BCF (pH 7.4): 16.986; (7)ACD/KOC (pH 5.5): 264.311; (8)ACD/KOC (pH 7.4): 264.311; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 32.798 cm3; (15)Molar Volume: 101.275 cm3; (16)Surface Tension: 45.313 dyne/cm; (17)Density: 1.216 g/cm3; (18)Flash Point: 81.413 °C; (19)Enthalpy of Vaporization: 42.885 kJ/mol; (20)Boiling Point: 210.799 °C at 760 mmHg; (21)Vapour Pressure: 0.274 mmHg at 25 °C.
Preparation of Nitrobenzene: this chemical can be prepared by 4-Nitro-benzenediazonium; chloride. This reaction needs reagents water, phosphinic acid at temperature of 0 °C.
Uses of Nitrobenzene: (1) it is used as a solvent and a flavoring or perfume additive; (2) it is used to produce other chemicals. For example, it can react with 2-Amino-benzoic acid to get Phenazine-1-carboxylic acid. The reaction occurs with reagent KOH at temperature of 145 - 160 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and present an immediate or delayed danger to one or more components of the environment. It may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. In addition, it has danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. The production is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should keep container tightly closed and you should wear suitable protective clothing and gloves. What's more, you must keep away from sources of ignition and avoid releasing to the environment. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)[N+](=O)[O-]
(2) InChI: InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
(3) InChIKey: LQNUZADURLCDLV-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | oral | 1gm/kg (1000mg/kg) | U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 78, 1941. | |
| cat | LDLo | skin | 25gm/kg (25000mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1375, 1935. | |
| dog | LDLo | intravenous | 150mg/kg (150mg/kg) | U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 79, 1941. | |
| dog | LDLo | oral | 750mg/kg (750mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1375, 1935. | |
| guinea pig | LDLo | intraperitoneal | 500mg/kg (500mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) BEHAVIORAL: COMA | Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896. |
| guinea pig | LDLo | subcutaneous | 800mg/kg (800mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1375, 1935. | |
| mammal (species unspecified) | LC50 | inhalation | 2gm/m3 (2000mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. | |
| mammal (species unspecified) | LD50 | oral | 500mg/kg (500mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. | |
| man | LDLo | unreported | 35mg/kg (35mg/kg) | "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970. | |
| mouse | LD50 | oral | 590mg/kg (590mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981. | |
| mouse | LDLo | skin | 480mg/kg (480mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 79, 1941. |
| mouse | LDLo | subcutaneous | 286mg/kg (286mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Proceedings of the Society for Experimental Biology and Medicine. Vol. 42, Pg. 844, 1939. |
| rabbit | LDLo | oral | 700mg/kg (700mg/kg) | Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 805, 1966. | |
| rabbit | LDLo | skin | 600mg/kg (600mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1375, 1935. | |
| rat | LC50 | inhalation | 556ppm/4H (556ppm) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: CYANOSIS | National Technical Information Service. Vol. 0TS0570970, |
| rat | LD50 | intraperitoneal | 640mg/kg (640mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC LIVER: FATTY LIVER DEGERATION KIDNEY, URETER, AND BLADDER: OTHER CHANGES | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959. |
| rat | LD50 | oral | 349mg/kg (349mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0559505, |
| rat | LD50 | skin | 2100mg/kg (2100mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959. | |
| rat | LDLo | subcutaneous | 800mg/kg (800mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1375, 1935. | |
| women | TDLo | oral | 200mg/kg (200mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC VASCULAR: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Archiv fuer Toxikologie. Vol. 28, Pg. 208, 1971. |