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HCID 61301생성일: 2026년 11월 2일

5-니트로벤조트리아졸

5-니트로벤조트리아졸 · NSC 3132 · NSC 66476 · Verzone N-BTA · Nitrobenzotriazole · 5-Nitrobenzotriazol · 6-Nitrobenzotriazole · 5-Nitrobenzotriazole

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

식별자 및 물리적 특성

CAS No.	2338-12-7
분자식	C6H4N4O2
평균 분자량	164.12 g/mol
단동위원소 질량	164.03342538 g/mol
SMILES	O=[N+]([O-])c1ccc2n[nH]nc2c1
InChIKey	AOCDQWRMYHJTMY-UHFFFAOYSA-N
PubChem CID	61301
ChEMBL	CHEMBL1414349
EC No.	219-047-5
DTXSID	DTXSID2062329
현지명	5-니트로벤조트리아졸

화학 및 물리적 성질

XLogP	0.9
극성 표면적	87.4
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	0
무거운 원자 수	12
형식 전하	0
복잡도	192
LogP(분배 계수)	1.95
Physical Description	5-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.
녹는점	206-207°
끓는 점	291.56°C (rough estimate)
밀도	1.5129 (rough estimate)
굴절률	1.6900 (estimate)
pKa(산도 계수)	6.62±0.40(Predicted)
EPA	1H-Benzotriazole, 5-nitro- (2338-12-7)

안전 및 규제

GHS 분류	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.
규제 정보	Chemical: 1H-Benzotriazole, 5-nitro-
운송 라벨(DOT)	Explosive 1.1D
화재 위험	Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
건강 유해성	Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
반응성 그룹	Azo, Diazo, Azido, Hydrazine, and Azide Compounds
Reactivity Alerts	Explosive
Reactivity Profile	The 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 Classification	5-NitrobenzotriazolUN0385Div 1.1 Explosives (with a mass explosion hazard) (49 eCFR § 173.50)
Air and Water Reactions	Dust may form an explosive mixture in air.
Hazard Classes and Categories	Acute Tox. 4 (97.5%)
DHS Chemicals of Interest (COI)	5-NitrobenzotriazolA Commercial Grade5000400Explosive chemical that can be released at a facility.
소화	Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
응급 처치	Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:

CAS No.

2338-12-7

분자식

C6H4N4O2

평균 분자량

164.12 g/mol

단동위원소 질량

164.03342538 g/mol

SMILES

O=[N+]([O-])c1ccc2n[nH]nc2c1

InChIKey

AOCDQWRMYHJTMY-UHFFFAOYSA-N

PubChem CID

61301

ChEMBL

CHEMBL1414349

EC No.

219-047-5

DTXSID

DTXSID2062329

현지명

5-니트로벤조트리아졸

화학 및 물리적 성질

XLogP

0.9

극성 표면적

87.4

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

192

LogP(분배 계수)

1.95

Physical Description

5-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.

녹는점

206-207°

끓는 점

291.56°C (rough estimate)

밀도

1.5129 (rough estimate)

굴절률

1.6900 (estimate)

pKa(산도 계수)

6.62±0.40(Predicted)

EPA

1H-Benzotriazole, 5-nitro- (2338-12-7)

안전 및 규제

GHS 분류

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.

규제 정보

Chemical: 1H-Benzotriazole, 5-nitro-

운송 라벨(DOT)

Explosive 1.1D

화재 위험

Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:

건강 유해성

Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:

반응성 그룹

Azo, Diazo, Azido, Hydrazine, and Azide Compounds

Reactivity Alerts

Explosive

Reactivity Profile

The 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 Classification

5-NitrobenzotriazolUN0385Div 1.1 Explosives (with a mass explosion hazard) (49 eCFR § 173.50)

Air and Water Reactions

Dust may form an explosive mixture in air.

Hazard Classes and Categories

Acute Tox. 4 (97.5%)

DHS Chemicals of Interest (COI)

5-NitrobenzotriazolA Commercial Grade5000400Explosive chemical that can be released at a facility.

소화

Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:

응급 처치

Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: