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

Click to get detail 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

Click to get detail 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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3-(2,3-dihydro-1H-inden-4-yloxy)propan-1-amine
(9H-fluoren-9-yl)methyl N-(2-hydroxy-4,5-dimethylphenyl)carbamate
(9H-fluoren-9-yl)methyl N-[(2R)-2-(3-bromo-4-fluorophenyl)-2-hydroxyethyl]carbamate
rac-(9H-fluoren-9-yl)methyl N-[(3R,4S)-4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]oxolan-3-yl]carbamate
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