2-(3-amino-2,4,6-triiodophenyl)propanoic acid

2-(3-amino-2,4,6-triiodophenyl)propanoic acid 基本信息
CAS号 21762-12-9 分子式 C9H8I3NO2
分子量 542.87900 精确质量  542.76900
PSA  63.32000 LogP  3.85190

基本信息 展开↓

CAS号:
21762-12-9
3D弹球模型:
立即前往扯扯看
分子式:
C9H8I3NO2
分子量:
542.87900
英文名称:
2-(3-amino-2,4,6-triiodophenyl)propanoic acid
英文别名:
2-(3-amino-2,4,6-triiodophenyl)propanoic acid;
2-(3-Amino-2,4,6-triiodophenyl)propionic acid
精确分子量/精确质量:
542.76900
极性分子表面积/PSA:
63.32000
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:
The Key: ZSBOXQIYDXCBKN-UHFFFAOYSA-N

物化性质展开↓

密度:
2.679g/cm3
沸点:
518.8ºC at 760 mmHg
闪点:
267.6ºC
折射率:
1.779
蒸汽压:
1.37E-11mmHg at 25°C

安全信息展开↓

海关代码:
2922499990

合成路线查看所有的合成路线

  • 121-89-1

    间硝基苯乙酮

  • 21762-12-9

    2-(3-amino-2,4,6-triiodophenyl)propanoic acid

  • 21762-10-7

    2-(3-nitrophenyl)propanoic acid

  • 21762-12-9

    2-(3-amino-2,4,6-triiodophenyl)propanoic acid

  • 5400-78-2

    1-(3-硝基苯基)乙醇

  • 21762-12-9

    2-(3-amino-2,4,6-triiodophenyl)propanoic acid

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UE7200000
CHEMICAL NAME :
Propionic acid, 2-(3-amino-2,4,6-triiodophenyl)-
CAS REGISTRY NUMBER :
21762-12-9
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H8-I3-N-O2
MOLECULAR WEIGHT :
542.88
WISWESSER LINE NOTATION :
ZR BI DI FI CY1&VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,559,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
520 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,559,1970

海关数据查看详细

中国海关编码:2922499990

概述:
2922499990 其他氨基酸及其酯及它们的盐(含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
P.进境动植物、动植物产品检疫Q.出境动植物、动植物产品检疫R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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上游产品

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  • 5400-78-2

    1-(3-硝基苯基)乙醇

  • 21762-10-7

    2-(3-nitrophenyl)propanoic acid

  • 121-89-1

    间硝基苯乙酮

下游产品

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  • 23217-81-4

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