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HCID 17518作成日：2026年10月24日

1,3,5-トリクロロ-2,4,6-トリニトロベンゼン

1,3,5-トリクロロ-2,4,6-トリニトロベンゼン · ブルボサン · 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/ja/chemical/17518

1,3,5-トリクロロ-2,4,6-トリニトロベンゼンの分子構造式

識別子と物理属性

CAS No.	2631-68-7
分子式	C6Cl3N3O6
平均分子量	316.4 g/mol
単同位体質量	314.88526776 g/mol
SMILES	O=[N+]([O-])c1c(Cl)c([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl
InChIKey	LZMONXBJUOXABQ-UHFFFAOYSA-N
PubChem CID	17518
EC No.	220-115-1
DTXSID	DTXSID4062565
現地名	1,3,5-トリクロロ-2,4,6-トリニトロベンゼン

化学・物理的性質

XLogP	2.6
極性表面積	137
水素結合供与体数	0
水素結合受容体数	6
回転可能結合数	0
重原子数	18
形式電荷	0
複雑度	303
物質分類	Nitrogen Compounds -> Nitros, Aromatic
SpringerMaterials Properties	Schoenflies notation
蒸気圧	0.00000022 [mmHg]
Physical Description	Wet Solid
融点	193 °C
沸点	319.45°C (rough estimate)
密度	1.9924 (estimate)
InChI	InChI=1S/C6Cl3N3O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16
InChIKey	LZMONXBJUOXABQ-UHFFFAOYSA-N
SMILES	C1(Cl)=C([N+]([O-])=O)C(Cl)=C([N+]([O-])=O)C(Cl)=C1[N+]([O-])=O
EPAの化学物質情報	1,3,5-Trichloro-2,4,6-trinitrobenzene (2631-68-7)

安全性と法規制

GHS 分類	DangerH302 (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.
規制情報	Benzene, 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
有害性の概要	A 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 Categories	Acute Tox. 4 (97.5%)
Toxicity Data	LCLo (rat) = 684 mg/m3/1hr
TSCA 収載状態	TSCA listed
毒性	LCLo ihl-rat: 684 mg/m3/1H NTIS** UCRL-13701

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