Grundinformationen
- Standard-SMILES
On1nnc2ccccc21- InChIKey
ASOKPJOREAFHNY-UHFFFAOYSA-N- Summenformel
- C6.H5.N3.O
- Durchschnittliche Molmasse
- 135,12 g/mol
- Monoisotopische Masse
- 135,04326178
Überblick
1-Hydroxybenzotriazole is a member of benzotriazoles.
Namen und Bezeichner
- Bevorzugter Name
- 1-Hydroxybenzotriazole
- IUPAC
- 1-hydroxybenzotriazole
- Lokaler Name
- 1-Hydroxybenzotriazol
- Englischer Name
- 1-Hydroxybenzotriazole
- Summenformel
- C6H5N3O
- Molmasse
- 135.12
Namen und Synonyme
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
Weitere Namen anzeigen
HBTHYDROXYBENZOTRIAZOLEHBOT1-HydroxybenzotrizoleHydroxybenzotriazole Monohydrate
1H-Benzotriazol-1-olN-Hydroxybenzotriazole1-Hydroxy-1H-benzotriazole1-BenzotriazololSitagliptin Impurity 47benzotriazol-1-ol1-HYDROXY-BENZOTRIAZOLE1-hydroxybenztriazole
Datenbank-Bezeichner
- 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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 50,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 130
Experimentelle und physikochemische Eigenschaften
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 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3044627]
Physikochemische Eigenschaften
- Schmelzpunkt
- 156 · 156-159°C
- Siedepunkt
- 149 · 149-150 °C
- Dichte
- 1 g/cm3 · 1 g/cm3
- Dampfdruck
- 0.009 Pa · 0.009Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.488
- Flammpunkt
- 95 °C · 95 °C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 7.39 · 7.39±0.58(Predicted)
- Farbe
- White to off-white crystalline powder
- Wasserlöslichkeit
- 4.201 g/L · 4.201g/L at 29℃
- Stabilität
- Stable, but possible risk of explosion if heated under confinement. Flammable.
- LogP
- 0.146 at · 0.146 at 25℃
- CAS Datenbank
- 2592 · 2592-95-2(CAS DataBase Reference)
- NIST chemische Informationen
- 1 H-benzotriazole, · 1H-benzotriazole, 1-hydroxy-(2592-95-2)
- EPA chemische Informationen
- 1 H-Benzotriazole, · 1H-Benzotriazole, 1-hydroxy- (2592-95-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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)
Gefahrenhinweise
Regulatory Information
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
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
Expl. 1.3 (96.8%)
Explosive - division 1.3
Expl. 1.3
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
20 [mg/m3]
220 [mg/m3]
1300 [mg/m3]
Sicherheitsdaten
- tsca
- TSCA listed
- ridadr
- UN 0508 (1-HYDROXYBENZOTRIAZOLE, ANHYDROUS, dry or wetted with less than 20 % water, by mass)
- hs_code
- 29339980
- RTECS-Nr.
- DM1288000
- risk_code
- 11-5-36/38-36/37/38-36-20/21-61-2
- Toxizität
- rat,LDLo,oral,5gm/kg (5000mg/kg),Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 679, 1992.
- hazard_code
- F,Xi,T,E
- safety_code
- 16-33-7/9-26-45-53-15-36/37-35
- hazard_class
- 1.3C
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as a reagent in synthetic organic chemistry; [Merck Index]
Use ClassificationCorrosion inhibitors -> Transformation products
General Manufacturing Information1H-Benzotriazole, 1-hydroxy-: ACTIVE
Anwendungen
Verwenden1-Hydroxybenzotriazole (HOBT) is used in preparation method of carbon fiber/polyamide composite powder material for laser sintering.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
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]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
天津科创医药中间体技术生产力促进有限公司022-60116533 13207668525 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
越林试剂021-62960152 · [email protected]
苏州安尼康药物研发有限公司0512-69369885 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
ApexBio Technology LLC+1-832-696-8203 · [email protected]
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海弘邦医药科技有限公司021-021-64975436 18917636693 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Zugehörige Reaktionen
29.339
Verknüpfte Notizen
Wird geladen…