cas号： 3696-36-4 ，名称： 1-异喹啉硼酸的性质/作用/用途-化学加百科

1-异喹啉硼酸

1-异喹啉硼酸基本信息
CAS号	3696-36-4	分子式	C4H4N2
分子量	80.08800	精确质量	80.03740
PSA	47.58000	LogP	0.66966

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基本信息物化性质安全信息合成路线毒性海关数据上下游

基本信息展开↓

CAS号：: 3696-36-4
3D弹球模型：: 立即前往扯扯看
分子式：: C4H4N2
分子量：: 80.08800
中文名称：: 1-异喹啉硼酸
英文名称：: 2-METHYLMALONONITRILE
中文别名：: 1-异喹啉硼酸;
2-甲基丙二腈;
BISPYRITHIONE;
2,2'-Dithiobis (pyridine-N-oxide);
2,2'-disulfanediylbis(pyridine) 1,1'-dioxide;
2,2'-Dithiobis(pyridine-N-oxide);
奥麦丁二硫化物;
2,2'-二硫代二(吡啶-1-氧化物);
双硫氧吡啶;
N-(p-Chlorophenyl)thiourea;
NSC 72217;
4-Chlorophenyl-2-thiourea;
Thiourea, (4-chlorophenyl)- (9CI);
Urea, 1-(p-chlorophenyl)-2-thio-;
1-(4-chlorophenyl)thiourea;
4-Chlorophenylthiourea;
2-(dimethylamino)ethyl (4-chlorophenoxy)acetate hydrochloride (1:1);
meclofenoxate hydrochloride;
Pueraria root flavone;
Pueraria Root Extract;
puerarin;
(1R)-1-phenylethanamine;
(1R)-1-phenylethanaminium;
1-Phenyl-ethylamine;
R(+)-alpha-phenylethylamine;
(R)-1-Phenylethylamine;
D(+)-alpha-Methylbenzylamine;
Propionylerythromycin lauryl sulfate;
Prospiocine;
Roxomicina;
Stellamicina;
Sulfuric acid, monododecyl ester, compd. with erythromycin 2'-propionate (1:1);
UNII-XRJ2P631HP;
Erythromycin, 2'-propanoate, dodecyl sulfate (salt);
Erythromycin, 2'-propionate, monododecyl sulfate;
erythromycin estolate
英文别名：: 2-METHYLMALONONITRILE;
tert-butylmercaptan;
methyl malonitrile;
TBM(TM);
2-methyl-propane-2-thiol;
2-methyl-2-propanethio;
methyl malononitrile;
tertiarybutylmercaptan;
2-Isobutanethiol;
tert-Butylthiol;
1,1-dimethylethanethiol;
methylmalonodinitrile;
2-methylpropanedinitrile;
TERT-BUTANETHIOL;
tert-C4H9SH;
2-methyl-2propanethiol;
tert-Butylmercaptane;
2-methylmalonitrile;
T-BUTYL MERCAPTAN
精确分子量/精确质量：: 80.03740
极性分子表面积/PSA：: 47.58000
油水分配系数/LogP：: LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：: InChI=1/C9H8BNO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6,12-13H

物化性质展开↓

密度：: 0.98 g/cm3
沸点：: 197.5ºC at 760 mmHg
闪点：: 81.8ºC
折射率：: 1.645

安全信息展开↓

海关代码：: 2926909090

合成路线查看所有的合成路线

109-77-3

丙二腈
+
74-88-4

甲基碘
→

~80%
3696-36-4

1-异喹啉硼酸

50-00-0

甲醛
+
109-77-3

丙二腈
→

~78%
3696-36-4

1-异喹啉硼酸

71565-78-1

2-cyanopropanamide
→

~78%
3696-36-4

1-异喹啉硼酸

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OO4249200

CHEMICAL NAME :: Malononitrile, methyl-

CAS REGISTRY NUMBER :: 3696-36-4

BEILSTEIN REFERENCE NO. :: 1737753

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C4-H4-N2

MOLECULAR WEIGHT :: 80.10

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 40 mg/kg

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

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 14,1325,1965

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 130 mg/kg

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

REFERENCE :: PHLIDQ Pharmacochemistry Library. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1977- Volume(issue)/page/year: 8,73,1985

海关数据查看详细

中国海关编码：2926909090

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
摘要/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%