CAS 99-35-4|1,3,5-trinitrobenzene
| Common Name | 1,3,5-trinitrobenzene | ||
|---|---|---|---|
| CAS Number | 99-35-4 | Molecular Weight | 213.10500 |
| Density | 1.705g/cm3 | Boiling Point | 315ºC at 760mmHg |
| Molecular Formula | C6H3N3O6 | Melting Point | 122°C |
| MSDS | ChineseUSA | Flash Point | 164.1ºC |
| Symbol | GHS01, GHS06, GHS08, GHS09 | Signal Word | Danger |
Names
| Name | 1,3,5-trinitrobenzene |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.705g/cm3 |
|---|---|
| Boiling Point | 315ºC at 760mmHg |
| Melting Point | 122°C |
| Molecular Formula | C6H3N3O6 |
| Molecular Weight | 213.10500 |
| Flash Point | 164.1ºC |
| Exact Mass | 213.00200 |
| PSA | 137.46000 |
| LogP | 2.98080 |
| Index of Refraction | 1.655 |
| InChIKey | UATJOMSPNYCXIX-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 275 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - rigidity (including catalepsy) Lungs, Thorax, or Respiration - dyspnea
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 572 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 :
- Rodent - mouse
- DOSE/DURATION :
- 32 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >2 gm/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 - guinea pig
- DOSE/DURATION :
- 730 mg/kg
- TOXIC EFFECTS :
- Brain and Coverings - other degenerative changes Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - respiratory stimulation
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3640 ug/kg/26W-I
- TOXIC EFFECTS :
- Blood - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other esterases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other oxidoreductases
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 710 mg/kg/10D-I
- TOXIC EFFECTS :
- Brain and Coverings - changes in circulation (hemorrhage, thrombosis, etc.) Brain and Coverings - demyelination Brain and Coverings - other degenerative changes
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2070 mg/kg/90D-C
- TOXIC EFFECTS :
- Endocrine - changes in spleen weight Blood - changes in erythrocyte (RBC) count 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 :
- 355 mg/kg/10D-I
- TOXIC EFFECTS :
- Blood - normocytic anemia
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 400 mg/kg/4D-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Blood - other changes
MUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 10 ug/plate
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 2,531,1980
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 10 ug/plate
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 2,531,1980
Safety Information
| Symbol | GHS01, GHS06, GHS08, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H201-H300 + H310 + H330-H373-H410 |
| Precautionary Statements | P260-P264-P273-P280-P284-P301 + P310 |
| Target Organs | Blood, Central nervous system, Liver |
| 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 | E,T+,N,T,F |
| Risk Phrases | R1 |
| Safety Phrases | S35-S45-S60-S61-S27-S16-S36/37-S24/25-S23-S53 |
| RIDADR | 1354 |
| RTECS | DC3850000 |
| Packaging Group | II |
| Hazard Class | 1.1D |
| HS Code | 2904209090 |
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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Synonyms
| EINECS 202-752-7 |
| MFCD00059179 |
| 1,3,5-TRINITROBENZENE |
