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HCID 17518Erstellt: 24. Oktober 2026

1,3,5-Trichlortrinitrobenzol

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/de/chemical/17518

Molekülstruktur von 1,3,5-Trichlortrinitrobenzol

Identifikatoren & physikalische Daten

CAS No.2631-68-7
SummenformelC6Cl3N3O6
Durchschnittliche Molmasse316,4 g/mol
Monoisotopische Masse314,88526776 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
Lokaler Name1,3,5-Trichlortrinitrobenzol

Chemische & physikalische Eigenschaften

XLogP2,6
Polarare Oberfläche (TPSA)137
H-Brücken-Donoren0
H-Brücken-Akzeptoren6
Frei drehbare Bindungen0
Schwere Atome18
Formalladung0
Komplexität303
StoffklassenNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesSchoenflies notation
Dampfdruck0.00000022 [mmHg]
Physical DescriptionWet Solid
Schmelzpunkt193 °C
Siedepunkt319.45°C (rough estimate)
Dichte1.9924 (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
EPA chemische Informationen1,3,5-Trichloro-2,4,6-trinitrobenzene (2631-68-7)

Sicherheit & Vorschriften

GHS-EinstufungDangerH302 (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.
Regulatorische InformationenBenzene, 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
GefahrenübersichtA 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-Inventar-StatusTSCA listed
ToxizitätLCLo ihl-rat: 684 mg/m3/1H NTIS** UCRL-13701