1,3-Dinitrobenzene

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Names

[ CAS No. ]:
99-65-0

[ Name ]:
1,3-Dinitrobenzene

[Synonym ]:
EINECS 202-776-8
Benzene, 1,3-dinitro-
m-dinitrobenzene
m-DNB
2,5-DIMETHYLTHIOPHENE
Benzene,1,3-dinitro
Dinitrobenzene, m-
Benzene, m-dinitro-
Dinitrobenzene
meta-dinitrobenzene
Benzene,m-dinitro
1,3-Dinitrobenzol
3-dinitrobenzene
2,4-Dinitrobenzene
MFCD00007222
1,3-Dinitrobenzene

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
301.5±0.0 °C at 760 mmHg

[ Melting Point ]:
86 °C

[ Molecular Formula ]:
C6H4N2O4

[ Molecular Weight ]:
168.107

[ Flash Point ]:
136.9±12.6 °C

[ Exact Mass ]:
168.017105

[ PSA ]:
91.64000

[ LogP ]:
1.62

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.612

[ Stability ]:
Stable. Incompatible with reducing agents, oxidizing agents, strong bases. May explode if heated.

[ Water Solubility ]:
500 mg/L (20 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ7350000
CHEMICAL NAME :
Benzene, m-dinitro-
CAS REGISTRY NUMBER :
99-65-0
LAST UPDATED :
199712
DATA ITEMS CITED :
37
MOLECULAR FORMULA :
C6-H4-N2-O4
MOLECULAR WEIGHT :
168.12
WISWESSER LINE NOTATION :
WNR CNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
28 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 :
Administration onto the skin
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
4 mg/kg/2D-I
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - cyanosis
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
59500 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - hair
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
28 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
74700 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - convulsions or effect on seizure threshold Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
27 mg/kg
TOXIC EFFECTS :
Behavioral - coma Lungs, Thorax, or Respiration - cyanosis Blood - other hemolysis with or without anemia
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - wild bird species
DOSE/DURATION :
42 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 :
156 mg/kg/90D-I
TOXIC EFFECTS :
Endocrine - changes in spleen weight Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
265 mg/kg/8W-C
TOXIC EFFECTS :
Blood - pigmented or nucleated red blood cells Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
296 mg/kg/16W-C
TOXIC EFFECTS :
Endocrine - changes in spleen weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
24 mg/kg
SEX/DURATION :
male 1 day(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 :
Oral
DOSE :
33600 ug/kg
SEX/DURATION :
female 16 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
48 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
90 mg/kg
SEX/DURATION :
male 12 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
48 mg/kg
SEX/DURATION :
male 1 day(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 :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Bacteria - Salmonella typhimurium
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 272,91,1992 *** REVIEWS *** ACGIH TLV-TWA 1.0 mg/m3 (0.15 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 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 0.15 ppm (1 mg/m3) (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: 3,92,1971 OSHA PEL (Gen Indu):8H TWA 1 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 1 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 1 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 1 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO m-DINITROBENZENE-air:10H TWA 1 mg/m3 (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 : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 27046 No. of Facilities: 184 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 1754 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 27046 No. of Facilities: 41 (estimated) No. of Industries: 2 No. of Occupations: 4 No. of Employees: 2489 (estimated) No. of Female Employees: 1914 (estimated)

Safety Information

[ Symbol ]:

GHS06, GHS08, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H300 + H310 + H330-H373-H410

[ Precautionary Statements ]:
P260-P264-P273-P280-P284-P301 + P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
T+:Verytoxic;N:Dangerous for the environment;

[ Risk Phrases ]:
R26/27/28;R33;R50/53

[ Safety Phrases ]:
S28-S36/37-S45-S60-S61-S28A-S27-S16

[ RIDADR ]:
UN 3443 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
CZ7350000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2904209090

Synthetic Route

Precursor & DownStream

Precursor

  • 1-Iodo-3-nitrobenzene
  • 1-Bromo-3-iodobenzene
  • nitrobenzene
  • 2,4-Dinitroaniline
  • 3-Nitrophenylboronic acid
  • 2,4-Dinitroiodobenzene
  • 2,4-Dinitrochlorobenzene
  • benzene
  • 3-Nitroaniline
  • 1-Bromo-2,4-dinitrobenzene

DownStream

  • D-Phenylalanine,N-(2,4-dinitrophenyl)-
  • L-Phenylalanine,N-(2,4-dinitrophenyl)-
  • 1-nitro-3-[4-[4-(3-nitrophenoxy)phenyl]sulfanylphenoxy]benzene
  • 2-(3-tert-butyl-5-methylphenyl)-1,3-dinitrobenzene
  • 3-nitrophenyl isocyanate
  • 1,3-PHENYLENE DIISOCYANATE
  • 1-Fluoro-4-nitrobenzene
  • 1,3-dinitrobenzene radical anion
  • Benzenethiol, 3-nitro-
  • Ethyl 3-nitrophenyl sulfide

Customs

[ HS Code ]: 2904209090

[ Summary ]:
2904209090 derivatives containing only nitro or only nitroso groups。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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Related Compounds

  • 1,3-Dinitrobenzene-d4
  • 1,3-Dinitrobenzene-13C6
  • 2-iodo-1,3-dinitrobenzene
  • 4-iodo-1,3-dinitrobenzene
  • 2-ethyl-1,3-dinitrobenzene
  • 2-bromo-1,3-dinitrobenzene
  • 2-cyclopropyl-N-({1,1-dioxo-octahydro-1lambda6-thiopyrano[2,3-c]pyrrol-4a-yl}methyl)acetamide
  • (3S)-3-(4-fluorophenyl)-1,4-diazepan-2-one
  • rac-(4aR,7aS)-N-(2-methylbutan-2-yl)-6,6-dioxo-octahydro-6lambda6-thieno[3,4-b]piperazine-1-carboxamide
  • rac-(3aR,7aS)-N-(3-methylbutan-2-yl)-octahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxamide
  • rac-(3aR,7aR)-N-(3-methylbutan-2-yl)-octahydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide
  • rac-(3aR,7aR)-N-(2-methoxyethyl)-octahydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide
  • rac-(3aR,7aR)-N-(2-methylbutan-2-yl)-octahydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide
  • [(2R)-morpholin-2-yl]methanesulfonamide
  • 1-[(4-Chlorophenyl)(phenyl)methyl]-4-({1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl}methyl)piperazinedihydrochloride
  • 3-(6-Fluoropyridin-3-yl)azetidin-3-ol, trifluoroacetic acid
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