1,3,5-trinitrobenzene

Modify Date: 2024-01-03 13:22:52

1,3,5-trinitrobenzene Structure
1,3,5-trinitrobenzene structure
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 Chinese USA Flash Point 164.1ºC
Symbol GHS01 GHS06 GHS08 GHS09
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

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DC3850000
CHEMICAL NAME :
Benzene, 1,3,5-trinitro-
CAS REGISTRY NUMBER :
99-35-4
LAST UPDATED :
199710
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C6-H3-N3-O6
MOLECULAR WEIGHT :
213.12
WISWESSER LINE NOTATION :
WNR CNW ENW

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 :
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

 Safety Information

Symbol GHS01 GHS06 GHS08 GHS09
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

 Synthetic Route

 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