1-Hydroxybenzotriazole (HCID 75771)

개요

1-Hydroxybenzotriazole is a member of benzotriazoles.

이름 및 식별자

우선 이름: 1-Hydroxybenzotriazole
IUPAC: 1-hydroxybenzotriazole
현지명: 1-하이드록시벤조트리아졸 일수화물
영어명: 1-Hydroxybenzotriazole
분자식: C6H5N3O
분자량: 135.12

이름 및 동의어

1-Hydroxybenzotriazole2592-95-2HOBtBenzazimidol1H-Benzotriazole, 1-hydroxy-DTXSID3044627A2T929DMG4DTXCID1024627RefChem:76020219-989-71H-Benzo[d][1,2,3]triazol-1-ol1H-1,2,3-Benzotriazol-1-ol

이름 더 보기

1H-벤조트라이아졸,1-하이드록시,수화물1-하이드록시벤조트리아졸일수화물1-하이드록시-1H-벤젠트리아졸1H-벤조트라이아졸, 1-하이드록시, 수화물HBTHYDROXYBENZOTRIAZOLEHBOT1-HydroxybenzotrizoleHydroxybenzotriazole Monohydrate

1H-Benzotriazol-1-olN-Hydroxybenzotriazole1-Hydroxy-1H-benzotriazole1-BenzotriazololSitagliptin Impurity 47benzotriazol-1-ol1-HYDROXY-BENZOTRIAZOLE1-hydroxybenztriazole

데이터베이스 식별자

CAS: 2592-95-2
PubChem CID: 75771
DTXSID: DTXSID3044627
ChEMBL: CHEMBL1389920
ChEBI: CHEBI:176967
UNII: A2T929DMG4
EC Number: 219-989-7
Nikkaji: J32.434E、J697.528C

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 50.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 130

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Triazoles

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Solubility8.4 [ug/mL] (The mean of the results at pH 7.4)

Physical DescriptionWhite solid; [Merck Index] Light yellow fine crystals with lumps; [Sigma-Aldrich MSDS]

Collision Cross Section124.9 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3044627]

물리화학적 성질

녹는점: 156 · 156-159°C
끓는 점: 149 · 149-150 °C
밀도: 1 g/cm3 · 1 g/cm3
증기압: 0.009 Pa · 0.009Pa at 25℃
굴절률: 20 · n20/D 1.488
인화점: 95 °C · 95 °C
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 7.39 · 7.39±0.58(Predicted)
색상: 백색 내지 황백색의 결정성 분말
수용성: 4.201 g/L · 4.201g/L at 29℃
안정성: 안정적이지만 밀폐된 상태에서 가열하면 폭발 위험이 있습니다. 가연성.
LogP: 0.146 at · 0.146 at 25℃
NIST: 1 H-benzotriazole, · 1H-benzotriazole, 1-hydroxy-(2592-95-2)
EPA: 1 H-Benzotriazole, · 1H-Benzotriazole, 1-hydroxy- (2592-95-2)

화학적 성질

white to light yellow powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H203: (Deleted) Explosive; fire, blast or projection hazard [Danger Explosives]

P210, P230, P240, P250, P280, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)

Danger

H203 (96.8%): (Deleted) Explosive; fire, blast or projection hazard [Danger Explosives]

P210, P230, P240, P250, P264+P265, P273, P280, P305+P351+P338, P337+P317, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 2건

Status: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19265

1H-Benzotriazole, 1-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA mild eye irritant; Causes somnolence and weight loss in oral lethal-dose studies of rats; [RTECS] May explode on heating; [Merck Index] Explosion hazard; An eye irritant; [Sigma-Aldrich MSDS] See 1-Hydroxybenzotriazole hydrate.

DOT Hazard Classification · 6건

1-Hydroxybenzotriazole, anhydrous, dry or wetted with less than 20 percent water, by mass

UN0508

Div 1.3 Explosives (with predominately a fire hazard) (49 eCFR § 173.50)

1-Hydroxybenzotriazole, monohydrate

UN3474

Div 4.1 Flammable solid (49 eCFR § 173.124)

Hazard Classes and Categories · 3건

Expl. 1.3 (96.8%)

Explosive - division 1.3

Expl. 1.3

안전 및 보호

Protective Action Criteria (PAC) · 3건

20 [mg/m3]

220 [mg/m3]

1300 [mg/m3]

안전 데이터

tsca: TSCA listed
rtecs: DM1288000
ridadr: UN 0508 (1-HYDROXYBENZOTRIAZOLE, ANHYDROUS, dry or wetted with less than 20 % water, by mass)
독성: rat,LDLo,oral,5gm/kg (5000mg/kg),Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 679, 1992.
HS 번호: 29339980
risk_code: 11-5-36/38-36/37/38-36-20/21-61-2
hazard_code: F,Xi,T,E
safety_code: 16-33-7/9-26-45-53-15-36/37-35
위험 등급: 1.3C
기존화학 물질: 97-3-91

화학 및 산업

용도 및 제조

UsesUsed as a reagent in synthetic organic chemistry; [Merck Index]

Use ClassificationCorrosion inhibitors -> Transformation products

General Manufacturing Information1H-Benzotriazole, 1-hydroxy-: ACTIVE

응용 분야

용도1-Hydroxybenzotriazole (HOBT) is used in preparation method of carbon fiber/polyamide composite powder material for laser sintering.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

南京一化生物科技有限公司13429882898; 13429882898

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

연결된 노트

불러오는 중…

1-하이드록시벤조트리아졸 일수화물

기본 정보

개요