4-Nitrotoluene

Modify Date: 2024-01-02 15:06:14

4-Nitrotoluene Structure
4-Nitrotoluene structure
Common Name 4-Nitrotoluene
CAS Number 99-99-0 Molecular Weight 137.136
Density 1.2±0.1 g/cm3 Boiling Point 238.0±0.0 °C at 760 mmHg
Molecular Formula C7H7NO2 Melting Point 52-54 °C(lit.)
MSDS Chinese USA Flash Point 106.1±0.0 °C
Symbol GHS06 GHS08 GHS09
GHS06, GHS08, GHS09
Signal Word Danger

 Names

Name 4-nitrotoluene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 238.0±0.0 °C at 760 mmHg
Melting Point 52-54 °C(lit.)
Molecular Formula C7H7NO2
Molecular Weight 137.136
Flash Point 106.1±0.0 °C
Exact Mass 137.047684
PSA 45.82000
LogP 2.41
Vapour density 4.7 (vs air)
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.553
Stability Stability May be shock sensitive. Incompatible with sulfuric acid, strong bases, reducing agents, strong oxidizing agents.
Water Solubility 0.35 g/L (20 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT3325000
CHEMICAL NAME :
Toluene, p-nitro-
CAS REGISTRY NUMBER :
99-99-0
LAST UPDATED :
199712
DATA ITEMS CITED :
37
MOLECULAR FORMULA :
C7-H7-N-O2
MOLECULAR WEIGHT :
137.15
WISWESSER LINE NOTATION :
WNR D1

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 :
1960 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
975 mg/m3
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Liver - fatty liver degeneration Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>16 gm/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Liver - fatty liver degeneration Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
940 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1231 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
419 mg/m3
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Liver - fatty liver degeneration Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1750 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Liver - fatty liver degeneration Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
65793 mg/kg/13W-C
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in other cell count (unspecified) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
73983 mg/kg/13W-C
TOXIC EFFECTS :
Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8400 mg/kg/14D-I
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in spleen weight Immunological Including Allergic - decrease in humoral immune response
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
65793 mg/kg
SEX/DURATION :
male 13 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
30 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 10(Suppl 10),1,1987 *** REVIEWS *** ACGIH TLV-TWA 11 mg/m3 (2 ppm) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,409,1996 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,409,1996 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,409,1996 *** U.S. STANDARDS AND REGULATIONS *** OSHA PEL (Gen Indu):8H TWA 5 ppm (30 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 5 ppm (30 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 5 ppm (30 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 5 ppm (30 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 2 ppm (11 mg/m3);Skin JAN 1993 OEL-BELGIUM:TWA 2 ppm (11 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 2 ppm (12 mg/m3);Skin JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO p-NITROTOLUENE-air:10H TWA 2 ppm (Sk) REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6955 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 4354 (estimated) No. of Female Employees: 729 (estimated)

 Safety Information

Symbol GHS06 GHS08 GHS09
GHS06, GHS08, GHS09
Signal Word Danger
Hazard Statements H301 + H311 + H331-H373-H411
Precautionary Statements P261-P273-P280-P301 + P310-P311
Personal Protective Equipment Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes T:Toxic;N:Dangerousfortheenvironment;
Risk Phrases R23/24/25;R33;R51/53
Safety Phrases S28-S37-S45-S61-S28A-S27-S16
RIDADR UN 3446 6.1/PG 2
WGK Germany 2
RTECS XT3325000
Packaging Group II
Hazard Class 6.1
HS Code 29042000

 Synthetic Route

 Customs

HS Code 2904202000
Summary 2904202000 1-methyl-4-nitrobenzene。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%

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 Synonyms

4-nitrophenylmethane
4-nitrotoluol
Toluene, p-nitro-
4-hydroxynitrosobenzene
para-nitrotoluene
4-Nitrotoluene
1-Methyl-4-nitrobenzene
Nitrotoluene
p-nitrotoluol
4-Methylnitrobenzene
4-Nitrosofenol
1-nitroso-4-hydroxy-benzene
Nitrosophenol
Benzene, 1-methyl-4-nitro-
toluene, 4-nitro-
Quinomeoxime
4-nitroso-pheno
4-nitrosobenzyl alcohol
EINECS 202-808-0
P-NITROSOPHENOL
Nitrotoluene, p-
quinoneoxime
p-methylnitrobenzene
C-nitrosophenol
para-nitrosophenol
nitroso-4phenol
4-nitro-toluene
MFCD00007366
P-NITROTOLUENE
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