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4 - (N-Nitrosomethylamino) -1 - (3-пиридил)-1-бутанон
- английское имя4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE
- CAS №64091-91-4
- CBNumberCB0775599
- ФормулаC10H13N3O2
- мольный вес207.23
- номер MDLMFCD00274580
- файл Mol64091-91-4.mol
Температура плавления | 63-65°C |
Температура кипения | 346.25°C (rough estimate) |
плотность | 1.1933 (rough estimate) |
показатель преломления | 1.4830 (estimate) |
Fp | 9℃ |
температура хранения | Amber Vial, -20°C Freezer |
растворимость | DMF: 30 mg/ml, DMSO: 25 mg/ml, Ethanol: 25 mg/ml, |
пка | 3.19±0.10(Predicted) |
форма | Solid |
цвет | White to light yellow |
БРН | 3548355 |
Стабильность | Stable. Incompatible with strong oxidizing agents. |
InChI | InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3 |
ИнЧИКей | FLAQQSHRLBFIEZ-UHFFFAOYSA-N |
SMILES | C(C1=CC=CN=C1)(=O)CCCN(C)N=O |
Справочник по базе данных CAS | 64091-91-4 |
FDA UNII | 7S395EDO61 |
Предложение 65 Список | 4-(N-Nitrosomethylamino)-1-(3-pyridyl)1-butanone |
МАИР | 1 (Vol. Sup 7, 89, 100E) 2012 |
Система регистрации веществ EPA | 4-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone (64091-91-4) |
UNSPSC Code | 41116107 |
NACRES | NA.24 |
Коды опасности | Xn,T,F | |||||||||
Заявления о рисках | 26/27/28-45-43-40-22-39/23/24/25-23/24/25-11 | |||||||||
Заявления о безопасности | 45-53-36/37-16 | |||||||||
РИДАДР | 2811 | |||||||||
WGK Германия | 3 | |||||||||
RTECS | OB6465000 | |||||||||
Класс опасности | 6.1 | |||||||||
Группа упаковки | II | |||||||||
кода HS | 38220090 | |||||||||
Банк данных об опасных веществах | 64091-91-4(Hazardous Substances Data) | |||||||||
Токсичность | LD50 intraperitoneal in mouse: 1gm/kg | |||||||||
NFPA 704: |
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рисовальное письмо(GHS)
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рисовальное письмо(GHS)
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сигнальный язык
опасность
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вредная бумага
H301:Токсично при проглатывании.
H317:При контакте с кожей может вызывать аллергическую реакцию.
H351:Предполагается, что данное вещество вызывает раковые заболевания.
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оператор предупредительных мер
P201:Беречь от тепла, горячих поверхностей, искр, открытого огня и других источников воспламенения. Не курить.
P280:Использовать перчатки/ средства защиты глаз/ лица.
P301+P310+P330:ПРИ ПРОГЛАТЫВАНИИ: Немедленно обратиться за медицинской помощью. Прополоскать рот.
P302+P352:ПРИ ПОПАДАНИИ НА КОЖУ: Промыть большим количеством воды.
4 - (N-Nitrosomethylamino) -1 - (3-пиридил)-1-бутанон химические свойства, назначение, производство
Химические свойства
Off-White CrystalsИспользование
This compound was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified. Readily produces cancer in rats and hamstersМетоды производства
NNK is not produced commercially. NNK is formed by oxidation and nitrosation of nicotine and is produced during the curing, aging, processing, and smoking of tobacco. NNK has been found in tobacco at levels up to 35 mg/kg, in snuff up to 8.3 mg/kg, and in cigarette smoke up to 0.5 mg per cigarette (179, 193). Common cigarette filters considerably reduce the amount of NNK that reaches the smoker. NNK is extracted from snuff by the saliva of users, and as much as 0.2 μg/g of saliva has been measured. Potential exposure to NNK is widespread also among those exposed to sidestream smoke and has been detected at 0.2–15.7 μg/ cigarette. Evidence from one comparative study of tobacco-specific nitrosamines in cigarettes suggests that levels of NNK (measured as a sum of all tobacco-specific nitrosamines) are higher in non-Moldovan cigarette tobacco and Moldovan blended cigarettes, suggesting that current tobacco production and manufacturing technologies may create conditions that favor N-nitrosation of alkaloids and other tobacco constituents.Общее описание
Pale yellow crystalline solid.Реакции воздуха и воды
4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE may be sensitive to prolonged exposure to air and light.Профиль реактивности
A nitrated amine and ketone. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.Пожароопасность
Flash point data for 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE are not available; however, 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE is probably combustible.Профиль безопасности
Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. An experimental teratogen. Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx.Канцерогенность
4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone (NNK) is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.4 - (N-Nitrosomethylamino) -1 - (3-пиридил)-1-бутанон поставщик
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