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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 17518Generated: October 26, 2026

1,3,5-Trichloro-2,4,6-trinitrobenzene

TCTNB · Bulbosan · 1,3,5-trichlorotrinitrobenzene · Benzene, 1,3,5-trichloro-2,4,6-trinitro- · Bulbosan, TCTNB, 1,3,5-Trichloro-2,4,6-trinitrobenzene

https://huagongshe.com/en/chemical/17518

1,3,5-Trichloro-2,4,6-trinitrobenzene molecular structure

Identifiers & Physical Properties

CAS No.2631-68-7
Molecular formulaC6Cl3N3O6
Average molar mass316.4 g/mol
Monoisotopic mass314.88526776 g/mol
SMILESO=[N+]([O-])c1c(Cl)c([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl
InChIKeyLZMONXBJUOXABQ-UHFFFAOYSA-N
PubChem CID17518
EC No.220-115-1
DTXSIDDTXSID4062565

Chemical & Physical Properties

XLogP2.6
Topological polar surface area137
Hydrogen bond donors0
Hydrogen bond acceptors6
Rotatable bonds0
Heavy atoms18
Formal charge0
Complexity303
Chemical classesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesSchoenflies notation
Vapor pressure0.00000022 [mmHg]
Physical DescriptionWet Solid
Melting point193 °C
Boiling point319.45°C (rough estimate)
Density1.9924 (estimate)
InChIInChI=1S/C6Cl3N3O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16
InChIKeyLZMONXBJUOXABQ-UHFFFAOYSA-N
SMILESC1(Cl)=C([N+]([O-])=O)C(Cl)=C([N+]([O-])=O)C(Cl)=C1[N+]([O-])=O
FDA UNII5W43E2LG8X
EPA Substance Registry System1,3,5-Trichloro-2,4,6-trinitrobenzene (2631-68-7)
GHS pictogramGHS01,GHS07,GHS09
Signal wordDanger
GHS hazard statementsH201-H400-H410-H315
GHS precautionary statementsP273-P391-P501-P210-P230-P240-P250-P280-P370+P380-P372-P373-P401-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
TSCA inventory statusTSCA listed
ToxicityLCLo ihl-rat: 684 mg/m3/1H NTIS** UCRL-13701
REACH registrationsActive

Safety & Regulations

GHS classificationDangerH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory informationBenzene, 1,3,5-trichloro-2,4,6-trinitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3,5-trichloro-2,4,6-trinitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 10-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34156
Hazards summaryA mild skin and severe eye irritantCauses other somnolence and dyspnea in inhalation lethal-concentration studies of rats[RTECS] See 1,3,5-Trinitrobenzene. See Trinitrochlorobenzene.
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Toxicity DataLCLo (rat) = 684 mg/m3/1hr
TSCA inventory statusTSCA listed
ToxicityLCLo ihl-rat: 684 mg/m3/1H NTIS** UCRL-13701
Signal wordDanger
GHS pictogramGHS01,GHS07,GHS09
GHS hazard statementsH201-H400-H410-H315
REACH registrationsActive
GHS precautionary statementsP273-P391-P501-P210-P230-P240-P250-P280-P370+P380-P372-P373-P401-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362