3-Nitrotoluene

Modify Date: 2024-01-01 19:55:09

3-Nitrotoluene Structure
3-Nitrotoluene structure
 Common Name 3-Nitrotoluene
CAS Number 99-08-1 Molecular Weight 137.13600
Density 1.157 g/mL at 25 °C(lit.) Boiling Point 230-231 °C(lit.)
Molecular Formula C7H7NO2 Melting Point 15 °C
MSDS Chinese USA Flash Point 215 °F
Symbol GHS06 GHS08
GHS06, GHS08		 Signal Word Danger

 Names

Name 3-nitrotoluene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.157 g/mL at 25 °C(lit.)
Boiling Point 230-231 °C(lit.)
Melting Point 15 °C
Molecular Formula C7H7NO2
Molecular Weight 137.13600
Flash Point 215 °F
Exact Mass 137.04800
PSA 45.82000
LogP 2.42640
Vapour density 4.73 (vs air)
Vapour Pressure 1 mm Hg ( 50.2 °C)
Index of Refraction n20/D 1.541(lit.)
Stability Stable. Combustible. Incompatible with reducing agents, strong oxidizing agents, strong bases.
Water Solubility insoluble

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT2975000
CHEMICAL NAME :
Toluene, m-nitro-
CAS REGISTRY NUMBER :
99-08-1
LAST UPDATED :
199712
DATA ITEMS CITED :
32
MOLECULAR FORMULA :
C7-H7-N-O2
MOLECULAR WEIGHT :
137.15
WISWESSER LINE NOTATION :
WNR C1

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 :
1072 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 :
693 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 - mouse
DOSE/DURATION :
330 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 :
425 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 :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
3600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
31122 mg/kg/13W-C
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in platelet count Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
67613 mg/kg/13W-C
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5600 mg/kg/14D-I
TOXIC EFFECTS :
Endocrine - changes in thymus weight Blood - changes in other cell count (unspecified)
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
30 mg/m3/4H/17W-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - proteinuria Kidney, Ureter, Bladder - other changes in urine composition
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
31122 mg/kg
SEX/DURATION :
female 13 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - menstrual cycle changes or disorders
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
60151 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

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 1 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 m-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

 Safety Information

Symbol GHS06 GHS08
GHS06, GHS08
Signal Word Danger
Hazard Statements H301 + H311 + H331-H373
Precautionary Statements P261-P280-P301 + P310-P311
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes T:Toxic;
Risk Phrases R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . R33:Danger of cumulative effects. R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R36/37/38:Irritating to eyes, respiratory system an
Safety Phrases S36/37-S45-S61-S37-S28A-S27-S16
RIDADR UN 1664 6.1/PG 2
WGK Germany 2
RTECS XT2975000
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

3-Nitrotoluene
3-NITROTOLUOL
1-methyl-3-nitrobenzene
3-NITROTOLUENE FOR SYNTHESIS
EINECS 202-728-6
3-NITRO TOLUENE
BENZENE,1-METHYL-3-NITRO-
MFCD00007265
3-AMINOACETOPHENONE/3-ACETYLANILINE
m-Nitrotoluene
META NITROTOLUENE
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Related Compounds: More...
3-NITROTOLUENE
36-37-3
4-Iodo-3-nitrotoluene
5326-39-6
2-Azido-3-nitrotoluene
16714-18-4
2-Bromo-3-nitrotoluene
41085-43-2
2-Amino-3-nitrotoluene
60999-18-0
2-cyano-3-nitrotoluene
1885-76-3
α-Bromo-3-nitrotoluene
3958-57-4
4-Bromo-3-nitrotoluene
5326-34-1
2-AMINO-3-NITROTOLUENE
570-24-1
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