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4-氯苯磺酰胺

4-氯苯磺酰胺用途

【用途一】
用作医药对氯苯磺酰肼的中间体
【用途二】
医药中间体。

4-氯苯磺酰胺名称

[ CAS 号 ]:
98-64-6

[ 中文名 ]:
4-氯苯磺酰胺

[ 英文名 ]:
4-Chlorobenzenesulfonamide

[中文别名 ]:

对氯苯磺酰胺

[英文别名 ]:

4-Chlorobenzenesulfonamide
PCBS
p-chlorophenylsulfonamide
4-Chlorophenylsulfonamide
p-chlorophenyl sulfonylamine
USAF ma-3
EINECS 202-689-5
Benzenesulfonamide, 4-chloro-
MFCD00007936
p-ClC6H4SO2NH2

4-氯苯磺酰胺物理化学性质

[ 密度 ]:
1.5±0.1 g/cm3

[ 沸点 ]:
342.2±44.0 °C at 760 mmHg

[ 熔点 ]:
140-144 °C(lit.)

[ 分子式 ]:
C₆H₆ClNO₂S

[ 分子量 ]:
191.635

[ 闪点 ]:
160.8±28.4 °C

[ 精确质量 ]:
190.980774

[ PSA ]:
68.54000

[ LogP ]:
0.84

[ 外观性状 ]:
白色粉末

[ 蒸汽压 ]:
0.0±0.7 mmHg at 25°C

[ 折射率 ]:
1.591

[ 储存条件 ]:
库房低温通风干燥

4-氯苯磺酰胺MSDS

4-氯苯磺酰胺毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DB1400000

CHEMICAL NAME :: Benzenesulfonamide, p-chloro-

CAS REGISTRY NUMBER :: 98-64-6

BEILSTEIN REFERENCE NO. :: 1308891

LAST UPDATED :: 199709

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C6-H6-Cl-N-O2-S

MOLECULAR WEIGHT :: 191.64

WISWESSER LINE NOTATION :: ZSWR DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

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

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,20,1953

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2700 mg/kg

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

REFERENCE :: ABMGAJ Acta Biologica et Medica Germanica. (Berlin, Ger. Dem. Rep.) V.1-41, 1958-82. For publisher information, see BBIADT. Volume(issue)/page/year: 21,193,1968

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/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: AD277-689

4-氯苯磺酰胺安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H315-H319-H335

[ 警示性声明 ]:
P261-P305 + P351 + P338

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xi:Irritant;

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S26-S36-S24/25

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
2

[ RTECS号 ]:
DB1400000

[ 海关编码 ]:
2935009090

4-氯苯磺酰胺合成路线

4-氯苯磺酰胺上下游产品

4-氯苯磺酰胺上游产品

4-氯苯磺酰胺下游产品

4-氯苯磺酰胺制备

由对氯苯磺酸钠经氯磺化、胺化而得。在对氯苯磺酸钠加入氯磺酸中，在40-42℃保温0.5h，在60℃保温3h。然后冷至室温滴加到冰水中，于15℃以下过滤，洗涤至pH为5.5-6，得对氯苯磺酰氯。将其加入10℃以下的氨水中。于40-42℃保温2h，冷却结晶，过滤，洗涤得对氯苯磺酰胺。收率为75%。

4-氯苯磺酰胺海关

[ 海关编码 ]: 2935009090

[ 中文概述 ]:
2935009090 其他磺（酰）胺. 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:35.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

4-氯苯磺酰胺文献

Determination of the content of 2-chlorobenzenesulphonamide and bis(p-chlorophenyl) sulphone in 4-chlorobenzenesulphonamide.

J. Chromatogr. A. 333(1) , 253-5, (1985)

Novel use of chemical shift in NMR as molecular descriptor: a first report on modeling carbonic anhydrase inhibitory activity and related parameters.

Bioorg. Med. Chem. Lett. 15 , 931-6, (2005)

A novel use of NMR chemical shift of the SO(2)NH(2) protons (in dioxane as solvent) as a molecular descriptor is described for modeling the inhibition constant for benzene sulfonamides against the zin...

Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II).

Bioorg. Med. Chem. Lett. 21 , 141-4, (2011)

We proposed a novel QSAR (quantitative structure-activity relationship) procedure called LERE (linear expression by representative energy terms)-QSAR involving molecular calculations such as ab initio...

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