uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723499
查看IDENTITY
结构与身份
- 标准SMILES
- CN(C)c1ccncc1
- InChIKey
- VHYFNPMBLIVWCW-UHFFFAOYSA-N
- 分子式
- C7H10N2
- 平均分子量
- 122.17 g/mol
- 单同位素质量
- 122.08439833
COMPUTED
结构计算性质
- XLogP
- 1.3
- 极性表面积
- 16.1 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 75
PROPERTIES
实验与物化性质
Vapor Pressure
1.0 [mmHg]
Physical Description
Large Crystals
Colorless solid; [Merck Index] Beige crystalline solid; [Sigma-Aldrich MSDS]
Collision Cross Section
120.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID0044369];120.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044369]
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 1.1% (6 of 522) of reports.
Danger
H301 (98.9%): Toxic if swallowed [Danger Acute toxicity, oral];H310 (70.3%): Fatal in contact with skin [Danger Acute toxicity, dermal];H314 (32.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (59.4%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (32.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (49.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (36%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (37.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H370 (17%): Causes damage to organs [Danger Specific target organ toxicity, single exposure];H411 (36%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 522 reports by companies from 53 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 6 of 522 reports by companies.;There are 52 notifications provided by 516 of 522 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: 4-Pyridinamine, N,N-dimethyl-
4-Pyridinamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Pyridinamine, N,N-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17217;Status: Active Update: 19-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25538
4-(Dimethylamino) pyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A skin and strong eye irritant; Toxic by ingestion; Highly toxic by skin absorption; [Sigma-Aldrich MSDS] See 4-Aminopyridine.
Hazard Classes and Categories
Acute Tox. 3 (98.9%);Acute Tox. 2 (70.3%);Skin Corr. 1 (32.2%);Skin Irrit. 2 (59.4%);Eye Dam. 1 (32.8%);Eye Irrit. 2 (49.4%);Acute Tox. 3 (36%);STOT SE 3 (37.9%);STOT SE 1 (17%);Aquatic Chronic 2 (36%)
CSL Reaction Information
CSL00204
2-Methoxyprop-2-yl Hydroperoxide + Dicyclohexylcarbodiimide + 4-(Dimethylamino)pyridine + Dichloromethane + Cesium hydroxide + Dimethylformamide
"We would like to draw attention to a potential hazard associated with a procedure reported from our laboratories, "2-Methoxyprop-2-yl Hydroperoxide: A Convenient Reagent for the Synthesis of Hydroperoxides and Peracids," P. H. Dussault and A. Sahli [J. Org. Chem., 57, 1009 (1992). DOI: 10.1021/jo00029a043]. The procedure, which calls for room-temperature concentration of the ozonolysis-derived reagent before redissolution in an appropriate solvent, has been performed uneventfully on numerous occasions. Recently, however, several concentrated samples were observed to undergo rapid exothermic decomposition. In one case, an open vial containing a 2-g sample emitted a pillar of flame several feet high. We are currently investigating alternative procedures, including concentration of the reagent at 0 C. Extreme caution, including the rigorous use of safety shields, is warranted. The reagent should not be stored, but should be generated only as needed. Dilute solutions of excess reagent can be safely quenched with dimethyl sulfide, triphenylphosphine, or aqueous sodium sulfite." (reprint of full text)
Flammable,Pyrophoric
Not Available
10.1021/cen-v071n032.p002
REGULATORY
法规信息
Regulatory Information
Chemical: 4-Pyridinamine, N,N-dimethyl-
4-Pyridinamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Pyridinamine, N,N-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17217;Status: Active Update: 19-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25538
4-(Dimethylamino) pyridine: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
Uses
A catalyst used in organic syntheses; [Merck Index]
U.S. Production
2023: 50,000 - <250,000 lb;2022: 50,000 - <250,000 lb;2021: 50,000 - <250,000 lb;2020: 250,000 - <550,000 lb
Industry Uses
Catalyst
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
4-Pyridinamine, N,N-dimethyl-: ACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
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