HOAt (HCID 181649)｜Huagongshe

이름 및 식별자

우선 이름: HOAt
IUPAC: 3-hydroxytriazolo[4,5-b]pyridine
영어명: HOAt
분자식: C5H4N4O
분자량: 136.11

이름 및 동의어

1-Hydroxy-7-azabenzotriazole39968-33-7HOAt7-Aza-1-hydroxybenzotriazoleTX8XYH09H0RefChem:433155433-840-5609-760-33H-[1,2,3]triazolo[4,5-b]pyridin-3-ol3-hydroxytriazolo[4,5-b]pyridine3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-MFCD00210053

이름 더 보기

HO-EPCP1-Hydroxy-7-azabenzo1-Hydroxy-7-azabenotriazoleN-Hydroxy-7-azobenzotriazole1-Hydroxy-7-azabenzotriazole (HOAt)3H-[1,2,3]triazolo[4,5-b]pyridin-3-ol(SALTDATA: FREE)

57115-46-51-hydroxyl-7-azabenzotriazole3H-(1,2,3)triazolo(4,5-b)pyridin-3-olHOAT solution1,2,3-triazolo[5,4-b]pyridin-3-ol[1,2,3]Triazolo[4,5-b]pyridin-3-olHOAt 1-Hydroxy-7-azabenzotriazole3H-1,2,3-triazolo[4,5-b]pyridine-3-ol

데이터베이스 식별자

CAS: 39968-33-7
PubChem CID: 181649
DTXSID: DTXSID0075239
UNII: TX8XYH09H0
EC Number: 433-840-5、609-760-3
Nikkaji: J658.842E

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 63.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 131

물리화학적 성질

녹는점: 213 · 213-216°C
끓는 점: 250.36 °C · 250.36°C (rough estimate)
밀도: 0.973 g/mL · 0.973 g/mL at 20 °C
굴절률: 20 · n20/D 1.441
인화점: 213 · 213-216°C
저장 조건: Store at RT.
용해도: 6.8 mg/mL · >6.8mg/mL in DMSO
물리적 상태: 가루
산도 계수 (pKa): 5.85 · 5.85±0.58(Predicted)
색상: White to yellow
주요 응용: 펩타이드 합성
InChI: InChI=1S/C5H4N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,10H
InChIKey: FPIRBHDGWMWJEP-UHFFFAOYSA-N
SMILES: C12N(O)N=NC1=CC=CN=2
EPA: 3 H-1,2,3-Triazolo[4,5-b]pyridine, · 3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy- (39968-33-7)

화학적 성질

Clear, colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H204 (95.8%): Fire or projection hazard [Warning Explosives]；H301 (24.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (72.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (24.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (75.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (26.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P230, P234, P236, P240, P250, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P380+P375, P401, P403+P233, P405, P501, and P503 (click each P-code to see the statement)

Aggregated GHS information provided per 166 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/12962

Hazard Classes and CategoriesExpl. 1.4 (95.8%)；Acute Tox. 3 (24.1%)；Acute Tox. 4 (72.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (24.7%)；Eye Irrit. 2 (75.3%)；STOT SE 3 (26.5%)

규제 정보

Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/12962

안전 데이터

wgk: 1
ridadr: UN 1993 3/PG 3
HS 번호: 29332990
risk_code: 61-20/21-36-5-36/37/38-11-41-37/38-22-2-36/37
hazard_code: T,Xi,F,Xn,E
safety_code: 53-45-37/39-26-16-39-35-36-36/37-28-15
포장분류: Ⅱ
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Flam. Liq. 3Repr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

개요HOAt (also known as 1-Hydroxy-7-azabenzotriazole) is a benzotriazole compound commonly used as a coupling reagent for amino acids and peptides. HOAt is also used as a solid-phase synthesis reagent for chiral peptide nucleic acids.