100-00-5

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 65 ,1996,p. 263.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 65 ,1996,p. 263.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 65 ,1996,p. 263.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.

OSHA PEL: TWA 1 mg/m³ (skin)
ACGIH TLV: TWA 0.1 ppm (skin); Animal Carcinogen
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
NIOSH REL: (p-Nitrochlorobenzene) lowest feasible conc. (skin)
DOT Classification:  6.1; Label: Poison

For occupational chemical analysis use or NIOSH: 1994: nitrobenzenes, 2005.

The IUPAC name of p-Nitrochlorobenzene is 1-Chloro-4-nitrobenzene. With the CAS registry number 100-00-5, it is also named as 4-Chloronitrobenzene. The product's categories are Intermediates of Dyes and Pigments; Organics; Alpha Sort; Analytical Standards; Aromatics Volatiles / Semivolatiles; C; C Alphabetic; CH Chemical Class; Chemical Class; Chloro Analytical Standards; Halogenated; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. Besides, it is light yellow crystals, which should be stored in a cool, ventilated place. In addition, this chemical is stable, combustible, and incompatible with strong oxidizing agents, hydroxides.

The other characteristics of this product can be summarized as: (1)EINECS: 202-809-6; (2)ACD/LogP: 2.60; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.6; (5)ACD/LogD (pH 7.4): 2.6; (6)ACD/BCF (pH 5.5): 55.67; (7)ACD/BCF (pH 7.4): 55.67; (8)ACD/KOC (pH 5.5): 618.24; (9)ACD/KOC (pH 7.4): 618.24; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 37.69 cm³; (15)Molar Volume: 113.2 cm³; (16)Surface Tension: 48.3 dyne/cm; (17)Density: 1.391 g/cm³; (18)Flash Point: 94.5 °C; (19)Melting point: 81-84 °C; (20)Enthalpy of Vaporization: 45.96 kJ/mol; (21)Boiling Point: 242 °C at 760 mmHg; (22)Vapour Pressure: 0.0541 mmHg at 25 °C.

Preparation of p-Nitrochlorobenzene: this chemical can be produced by Chlorobenzene via phase-transfer catalysis using tungsten or zirconium catalysts.

Uses of p-Nitrochlorobenzene: this chemical is an intermediate in the preparation of a variety of derivatives. Similarly, it also can be used to produce 4-Nitrodiphenylamine by condensation with Aniline.

When you are using this chemical, please be cautious about it as the following: it is harmful and toxic by inhalation, in contact with skin, if swallowed. It is also danger of serious damage to health by prolonged exposure. Limited evidence of a carcinogenic effect. You should wear suitable protective clothing and gloves. And after contact with skin, please wash immediately with plenty of soap-suds. Moreover, it is toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. It is possible risk of irreversible effects. Please avoid release to the environment. Refer to special instructions / safety data sheets. Additionally, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])Cl
(2)InChI: InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
(3)InChIKey: CZGCEKJOLUNIFY-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LCLo	inhalation	25ppm/7H (25ppm)		Industrial Medicine and Surgery. Vol. 19, Pg. 317, 1950.
mouse	LD50	oral	440mg/kg (440mg/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.
rabbit	LD50	skin	3040mg/kg (3040mg/kg)		National Toxicology Program Technical Report Series. Vol. NIH-93-3382,
rat	LCLo	inhalation	16100mg/m3/4H (16100mg/m3)	SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE LUNGS, THORAX, OR RESPIRATION: CYANOSIS	National Technical Information Service. Vol. OTS0571644,
rat	LD50	intraperitoneal	420mg/kg (420mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN	Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959.
rat	LD50	oral	420mg/kg (420mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LIVER: FATTY LIVER DEGERATION BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN	Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959.
rat	LD50	skin	16gm/kg (16000mg/kg)	BEHAVIORAL: FOOD INTAKE (ANIMAL) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN	Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959.