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HCID 61301作成日:2026年11月4日

5-ニトロベンゾトリアゾール (約20%水湿潤品)

5-ニトロベンゾトリアゾール (約20%水湿潤品) · 5-ニトロベンゾトリアゾール · NSC 3132 · NSC 66476 · Verzone N-BTA · Nitrobenzotriazole · 5-Nitrobenzotriazol · 6-Nitrobenzotriazole

https://huagongshe.com/ja/chemical/61301

5-ニトロベンゾトリアゾール (約20%水湿潤品) の分子構造式

識別子と物理属性

CAS No.2338-12-7
分子式C6H4N4O2
平均分子量164.12 g/mol
単同位体質量164.03342538 g/mol
SMILESO=[N+]([O-])c1ccc2n[nH]nc2c1
InChIKeyAOCDQWRMYHJTMY-UHFFFAOYSA-N
PubChem CID61301
ChEMBLCHEMBL1414349
EC No.219-047-5
DTXSIDDTXSID2062329
現地名5-ニトロベンゾトリアゾール (約20%水湿潤品)

化学・物理的性質

XLogP0.9
極性表面積87.4
水素結合供与体数1
水素結合受容体数4
回転可能結合数0
重原子数12
形式電荷0
複雑度192
LogP(分配係数)1.95
Physical Description5-nitrobenzotriazol appears as a solid or liquid. May explode under prolonged exposure to heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments.
融点206-207°
沸点291.56°C (rough estimate)
密度1.5129 (rough estimate)
屈折率1.6900 (estimate)
pKa(酸解離定数)6.62±0.40(Predicted)
EPAの化学物質情報1H-Benzotriazole, 5-nitro- (2338-12-7)

安全性と法規制

GHS 分類WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
規制情報Chemical: 1H-Benzotriazole, 5-nitro-
輸送ラベル(DOT)Explosive 1.1D
火災危険Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
健康有害性Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
反応性グループAzo, Diazo, Azido, Hydrazine, and Azide Compounds
Reactivity AlertsExplosive
Reactivity ProfileThe triazoles are a group of highly explosive materials that are sensitive to heat, friction, and impact. Sensitivity varies with the type substitution to the triazole ring. Metal chelated and halogen substitution of the triazol ring make for a particularly heat sensitive material. Azido and nitro derivatives have been employed as high explosives. No matter the derivative these materials should be treated as explosives.
DOT Hazard Classification5-NitrobenzotriazolUN0385Div 1.1 Explosives (with a mass explosion hazard) (49 eCFR § 173.50)
Air and Water ReactionsDust may form an explosive mixture in air.
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
DHS Chemicals of Interest (COI)5-NitrobenzotriazolA Commercial Grade5000400Explosive chemical that can be released at a facility.
消火Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
応急処置Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
非火災時の漏出対応Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Isolation and EvacuationExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
TSCA 収載状態TSCA listed
輸送番号(UN)UN 0385
危険文句(R)3-8
化審法(5)-541
消防法危-5-II
安全措置(S)16-17-36/37/39
危険等級1.1D