HOAt 分子结构式
HCID181649

HOAt

3-hydroxytriazolo[4,5-b]pyridine

C5H4N4O136.11 g/molCAS 39968-33-7

IDENTITY

结构与身份

标准SMILES
On1nnc2cccnc21
InChIKey
FPIRBHDGWMWJEP-UHFFFAOYSA-N
分子式
C5H4N4O
平均分子量
136.11 g/mol
单同位素质量
136.03851076

COMPUTED

结构计算性质

已同步
XLogP
0.5
极性表面积
63.8 Ų
氢键供体
1
氢键受体
4
可旋转键
0
重原子
10
形式电荷
0
复杂度
131

GHS

GHS分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

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

Hazard Classes and Categories

Expl. 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%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

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

ALIASES

名称与别名

共 80 条
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-MFCD0021005357115-46-51-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

REACTIONS

参与反应

5,950
HRID 6687 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07084134B2

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HRID 6775 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07084135B1

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HRID 10069 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091380B2

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HRID 10968 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094783B2

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HRID 10971 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094783B2

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HRID 10987 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094783B2

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HRID 10991 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094783B2

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HRID 11574 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098235B2

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