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新戊酰基乙腈

新戊酰基乙腈用途

【用途一】
用作有机合成中间体

新戊酰基乙腈名称

[ CAS 号 ]:
59997-51-2

[ 中文名 ]:
新戊酰基乙腈

[ 英文名 ]:
Pivaloylacetonitrile

[中文别名 ]:

[英文别名 ]:

EINECS 262-017-1
4,4-Dimethyl-3-oxo-pentanenitrile
MFCD00010208
Pentanenitrile, 4,4-dimethyl-3-oxo-
4,4-Dimethyl-3-oxopentanenitrile
Pivaloylacetonitrile
trimethylacetylacetonitrile

新戊酰基乙腈物理化学性质

[ 密度 ]:
0.9±0.1 g/cm3

[ 沸点 ]:
236.0±0.0 °C at 760 mmHg

[ 熔点 ]:
66-69 °C(lit.)

[ 分子式 ]:
C₇H₁₁NO

[ 分子量 ]:
125.168

[ 闪点 ]:
59.5±19.8 °C

[ 精确质量 ]:
125.084061

[ PSA ]:
40.86000

[ LogP ]:
0.55

[ 外观性状 ]:
黄褐色结晶粉末

[ 蒸汽压 ]:
0.0±0.4 mmHg at 25°C

[ 折射率 ]:
1.424

[ 储存条件 ]:
室温，干燥，密封

新戊酰基乙腈MSDS

新戊酰基乙腈毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SA2991000

CHEMICAL NAME :: Pentanenitrile, 4,4-dimethyl-3-oxo-

CAS REGISTRY NUMBER :: 59997-51-2

LAST UPDATED :: 199712

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C7-H11-N-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 283 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555393

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555393 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6799 mg/kg/13D-C

TOXIC EFFECTS :: Blood - pigmented or nucleated red blood cells Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555393

新戊酰基乙腈安全信息

[ 符号 ]:

GHS06

[ 信号词 ]:
Danger

[ 危害声明 ]:
H301

[ 警示性声明 ]:
P301 + P310

[ 个人防护装备 ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ 危害码 (欧洲) ]:
T:Toxic;

[ 风险声明 (欧洲) ]:
R25

[ 安全声明 (欧洲) ]:
S36/37/39-S45

[ 危险品运输编码 ]:
UN 3439 6.1/PG 3

[ WGK德国 ]:
3

[ RTECS号 ]:
SA2991000

[ 包装等级 ]:
III

[ 海关编码 ]:
2926909090

新戊酰基乙腈合成路线

新戊酰基乙腈上下游产品

新戊酰基乙腈上游产品

新戊酰基乙腈下游产品

新戊酰基乙腈海关

[ 海关编码 ]: 2926909090

[ 中文概述 ]:
2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

新戊酰基乙腈文献

Pyrazole urea-based inhibitors of p38 MAP kinase: from lead compound to clinical candidate.

J. Med. Chem. 45(14) , 2994-3008, (2002)

We report on a series of N-pyrazole, N'-aryl ureas and their mode of binding to p38 mitogen activated protein kinase. Importantly, a key binding domain that is distinct from the adenosine 5'-triphosha...

Borrowing hydrogen: iridium-catalysed reactions for the formation of C-C bonds from alcohols.

Org. Biomol. Chem. 4(1) , 116-25, (2006)

Alcohols have been employed as substrates for C-C bond-forming reactions which involve initial activation by the temporary removal of hydrogen to form an aldehyde. The intermediate aldehyde is convert...

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