CAS 99-35-4|1,3,5-trinitrobenzene

Introduction:Basic information about CAS 99-35-4|1,3,5-trinitrobenzene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name1,3,5-trinitrobenzene
CAS Number99-35-4Molecular Weight213.10500
Density1.705g/cm3Boiling Point315ºC at 760mmHg
Molecular FormulaC6H3N3O6Melting Point122°C
MSDSChineseUSAFlash Point164.1ºC
Symbol
GHS01, GHS06, GHS08, GHS09
Signal WordDanger

Names

Name1,3,5-trinitrobenzene
SynonymMore Synonyms

Chemical & Physical Properties

Density1.705g/cm3
Boiling Point315ºC at 760mmHg
Melting Point122°C
Molecular FormulaC6H3N3O6
Molecular Weight213.10500
Flash Point164.1ºC
Exact Mass213.00200
PSA137.46000
LogP2.98080
Index of Refraction1.655
InChIKeyUATJOMSPNYCXIX-UHFFFAOYSA-N
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

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
Signal WordDanger
Hazard StatementsH201-H300 + H310 + H330-H373-H410
Precautionary StatementsP260-P264-P273-P280-P284-P301 + P310
Target OrgansBlood, Central nervous system, Liver
Personal Protective EquipmentEyeshields;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 CodesE,T+,N,T,F
Risk PhrasesR1
Safety PhrasesS35-S45-S60-S61-S27-S16-S36/37-S24/25-S23-S53
RIDADR1354
RTECSDC3850000
Packaging GroupII
Hazard Class1.1D
HS Code2904209090

Customs

HS Code2904209090
Summary2904209090 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
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