基本情報
- CAS
82-71-3- 標準SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O- InChIKey
IXHMHWIBCIYOAZ-UHFFFAOYSA-N- 分子式
- C6H3N3O8
- 平均分子量
- 245.1 g/mol
- 単同位体質量
- 244.99201406
概要
Trinitroresorcinol appears as a yellowish, crystalline solid. Used as a priming agent. Very sensitive to heat. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments. Under prolonged exposure to fire or heat the containers may explode violently.
名称と識別子
- 優先名称
- Styphnic acid
- IUPAC
- 2,4,6-trinitrobenzene-1,3-diol
- 現地名
- 2,4,6-トリニトロレソルシノール (約30% 水湿潤品)
- 英語名
- 2,4,6-Trinitroresorcinol
- 分子式
- C6H3N3O8
- 分子量
- 245.1
名称と別名
Styphnic acid2,4,6-TRINITRORESORCINOL82-71-31,3-Benzenediol, 2,4,6-trinitro-2,4,6-Trinitro-1,3-benzenediolTrinitroresorcinolResorcinol, 2,4,6-trinitro-2,4-Dihydroxy-1,3,5-trinitrobenzeneNSC 36932UN0394CCRIS 3107UNII-R4TJB1U00D
名称をさらに表示
2,4,6-トリニトロレソルシノール (約30% 水湿潤品)2,4,6-トリニトロレゾルシノール2,4,6-トリニトロレソルシノール2,4,6-トリニトロベンゼン-1,3-ジオールスチフニン酸2,4,6-トリニトロ-1,3-ジヒドロキシベンゼン2,4,6-トリニトロ-1,3-ベンゼンジオール2,4,6-トリニトロレゾルシントリニトロレソルシノールトリニトロレソルシノール (乾性のもの又は20質量%未満の水若しくはアルコールと水の混合物で湿性としたもの)2,4,6-トリニトロレソルシノール, 1000 µg/mL in MeOH:AcCN (50:50)2,4,6-Trinitrobenzene-1,3-diolsyphnic acidTrinitroresorcineSALOR-INT L495999-1EALABOTEST-BB LT000002922,4,6-trinitroresorcin2,4,6-Trinitroresorcinole
EINECS 201-436-6R4TJB1U00DUN0219AI3-089273-Hydroxy-2,4,6-trinitrophenolNSC-36932STYPHNIC ACID [MI]2,4,6-Trinitro resorcinol
物性
構造計算による物性
- XLogP
- 1.1
- 極性表面積
- 178 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 0
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 317
実験および物理化学的性質
Chemical Classes
Other Uses -> Explosives
Flammable agents - 4th degree
SpringerMaterials PropertiesBoiling point
Physical Description
Trinitroresorcinol appears as a yellowish, crystalline solid. Used as a priming agent. Very sensitive to heat. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments. Under prolonged exposure to fire or heat the containers may explode violently.
CBI; Wet Solid
Yellow solid; [Merck Index] Ellipsoid particles; [Olin Winchester Ammunition MSDS]
Ionization Efficiency
Negative
1.07
10.5
Agilent XCT
Electrospray ionization
ammonia (10nM)
物理化学的性質
- 融点
- 175.5 °; · 175.5°; mp 179-180°
- 沸点
- 388.06 °C · 388.06°C (rough estimate)
- 比重(密度)
- 2.012 · 2.012±0.06 g/cm3(Predicted)
- 屈折率
- 1.691 · 1.6910 (estimate)
- 酸解離定数(Pka)
- 1.2 · 1.20±0.10(Predicted)
- 水溶解度
- 5.4 g/L · 5.4g/L(25℃)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H201: (Deleted) Explosive; mass explosion hazard [Danger Explosives]
P210, P230, P240, P250, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)
Danger
H201 (17%): (Deleted) Explosive; mass explosion hazard [Danger Explosives]
P210, P230, P240, P250, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 1,3-Benzenediol, 2,4,6-trinitro-
1,3-Benzenediol, 2,4,6-trinitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenediol, 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: 17-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22338
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelExplosive 1.1D
Fire HazardsExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Health HazardsExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Hazards Summary
A strong oxidizing agent; Highly sensitive to heat and may explode; [CAMEO] Explosive; A skin and eye irritant; May cause CNS depression and methemoglobinemia followed by liver and kidney injury; Toxic to the kidney, blood, and nervous system; Harmful by ingestion, inhalation, and skin absorption; [Olin Winchester Ammunition MSDS] See Barium styphnate. See 1,3,5-Trinitrobenzene.
化学と産業
用途と製造
UsesHas been used to make explosives; [Merck Index] Used as a priming agent; [CAMEO] Used as a secondary explosive; [Olin Winchester Ammunition MSDS]
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesIntermediate
Industry UsesIntermediate
General Manufacturing Information
Miscellaneous Manufacturing
1,3-Benzenediol, 2,4,6-trinitro-: ACTIVE
応用分野
使用2,4,6-Trinitroresorcinol has been used in the manufacture of explosives.
一般的な説明A yellowish, crystalline solid. May explode under exposure to heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments. Used as a priming agent. Very sensitive to heat. Water is added to lessen the explosion hazard.
調製方法
純化方法Crystallise the phenol from ethyl acetate or water containing HCl [EXPLODES violently on rapid heating.] Its solubility in H 2O is 0.7% at 20o and 3% at 100o. It forms addition compounds with aromatic hydrocarbons, e.g. naphthalene (m 168o), anthracene (m 180o), phenanthrene (m 142o), fluorene (m 134o) and retene (m 141o). [Beilstein 6 H 830, 6 III 4354, 6 IV 5699.]
関連反応
5 件
化合物ノート
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