CAS No.98-95-3,Nitrobenzene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	98-95-3
Name:	Nitrobenzene
Article Data:	730

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

Raw Materials

98-46-4

610-29-7

71-43-2

Downstream Products

5388-42-1

108-93-0

92-93-3

371-40-4

42955-73-7

99-54-7

93-61-8

607-35-2

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Consensus Reports

Community Right-To-Know List. EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 1 ppm (skin)
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

For occupational chemical analysis use NIOSH: nitrobenzenes, 2005.

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.

Nitrobenzene can be prepared by 4-Nitro-benzenediazonium; chloride.

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.

Nitrobenzene can react with 2-Amino-benzoic acid to get Phenazine-1-carboxylic acid.

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.