uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05728844
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(n1ccnc1)n1ccnc1
- InChIKey
- PFKFTWBEEFSNDU-UHFFFAOYSA-N
- 分子式
- C7H6N4O
- 平均分子量
- 162.15 g/mol
- 单同位素质量
- 162.05416083
COMPUTED
结构计算性质
- XLogP
- -0.2
- 极性表面积
- 52.7 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 0
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 166
PROPERTIES
实验与物化性质
Physical Description
Solid; [Merck Index] White crystalline powder; [Alfa Aesar MSDS]
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (1 of 233) of reports.
Danger
H302 (84.1%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (83.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (15.9%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (45.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (15.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H360 (26.2%): May damage fertility or the unborn child [Danger Reproductive toxicity];H360D (16.3%): May damage the unborn child [Danger Reproductive toxicity]
P203, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 233 reports by companies from 28 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 233 reports by companies.;There are 27 notifications provided by 232 of 233 reports by companies with hazard statement code(s).;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
Regulatory Information
Chemical: 1H-Imidazole, 1,1'-carbonylbis-
Status: Active Update: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10364
1,1'-Carbonyldiimidazole: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Hydrolyzed by water evolving carbon dioxide; [Merck Index] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and Categories
Acute Tox. 4 (84.1%);Skin Corr. 1B (83.3%);Skin Irrit. 2 (15.9%);Eye Dam. 1 (45.9%);Eye Irrit. 2 (15.9%);Repr. 1B (26.2%);Repr. 1B (16.3%)
TOXICITY
毒理信息
Adverse Effects
Dermatotoxin - Skin burns.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
REGULATORY
法规信息
Regulatory Information
Chemical: 1H-Imidazole, 1,1'-carbonylbis-
Status: Active Update: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10364
1,1'-Carbonyldiimidazole: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
Uses
Used to make peptides; [Merck Index]
General Manufacturing Information
Methanone, di-1H-imidazol-1-yl-: ACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05733905
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