1,3,5-trinitrobenzene

Modify Date: 2026-07-08 10:04:14

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	Signal Word	Danger

Name	1,3,5-trinitrobenzene
Synonym	More Synonyms

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

1,3,5-trinitrobenzene MSDS(Chinese)

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

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

Precursor 10
CAS#:88106-09-6 N-(3,5-dinitrop... CAS#:88-88-0 2,4,6-trinitroc... CAS#:121-45-9 Trimethyl phosphite CAS#:122-52-1 Triethyl phosphite
CAS#:618-87-1 3,5-Dinitroaniline CAS#:621-22-7 1,3,5-Trihydrox... CAS#:787619-76-5 1,3,5-trinitros... CAS#:609-32-5 Nitromalonaldehyde
CAS#:74087-85-7 Dimethyldioxirane CAS#:99-65-0 1,3-Dinitrobenzene
DownStream 10
CAS#:489-98-5 Benzenamine,2,4... CAS#:32902-85-5 N-butyl-2,4,6-t... CAS#:5042-55-7 1,3-Benzenediam... CAS#:618-87-1 3,5-Dinitroaniline
CAS#:1920-16-7 (3,5-dinitrophe... CAS#:586-11-8 3,5-DINITROPHENOL CAS#:50-28-2 beta-Estradiol CAS#:57-91-0 17alpha-Estradiol
CAS#:88-89-1 Trinitrophenol CAS#:29128-23-2 1,1'-Biphenyl,2...

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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Biochemical and histopathological evidence on the beneficial effects of Tragopogon graminifolius in TNBS-induced colitis.

Pharm. Biol. 53(3) , 429-36, (2015)

Tragopogon graminifolius DC. (Compositae) (TG) has been proposed as an efficacious remedy for gastrointestinal ulcers in Iranian traditional medicine.The present study evaluates the efficacy of TG on ...

Tumor-targeting and pH-sensitive lipoprotein-mimic nanocarrier for targeted intracellular delivery of paclitaxel.

Int. J. Pharm. 480(1-2) , 116-27, (2015)

In the present study, we constructed a tumor-targeting and pH-sensitive lipoprotein-mimic nanocarrier containing paclitaxel (FA-BSA-LC/DOPE-PTX), by adding 1,2-dioleoyl-sn-glycero-3-phosphoethanolamin...

Name: Carcinogenesis bioassays from the Carcinogenic Potency Database (CPDB)
Source: 25294
Target: N/A
External Id: cpdb

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EINECS 202-752-7

MFCD00059179

1,3,5-TRINITROBENZENE

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China
Product Name: 1,3,5-trinitrobenzene
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Purity: 98.0%
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1,3,5-TRINITROBENZENE
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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1,3,5-trinitrobenzene

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Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

Precursor & DownStream

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1,3,5-trinitrobenzeneBioassay

Synonyms

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