HCID68263

1,1'-Carbonyldiimidazole

di(imidazol-1-yl)methanone

C7H6N4O162.15 g/molCAS 530-62-1

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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

已同步

XLogP: -0.2
极性表面积: 52.7 Å²
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

共 148 条

530-62-11,1'-CarbonyldiimidazoleN,N'-CarbonyldiimidazoleN,N-CarbonyldiimidazoleCarbonyl diimidazoleDiimidazol-1-yl ketone63A10X1FSPNSC-67203RefChem:821863208-488-9di(1H-imidazol-1-yl)methanoneCarbonyldiimidazole1H-Imidazole, 1,1'-carbonylbis-1,1'-Carbonylbis-1H-imidazole1,1-Carbonyldiimidazoledi(imidazol-1-yl)methanone1-(1H-imidazole-1-carbonyl)-1H-imidazoleCDI CrosslinkerN,N'-Carbonylbis(imidazole)1-Oxomethylenebis(N-imidazole)

REACTIONS