8-iodo-1,3-dimethyl-7H-purine-2,6-dione

8-iodo-1,3-dimethyl-7H-purine-2,6-dione 基本信息
CAS号 24255-56-9 分子式 C7H7IN4O2
分子量 306.06100 精确质量  305.96100
PSA  72.68000 LogP  -0.43510

基本信息 展开↓

CAS号:
24255-56-9
3D弹球模型:
立即前往扯扯看
分子式:
C7H7IN4O2
分子量:
306.06100
英文名称:
8-iodo-1,3-dimethyl-7H-purine-2,6-dione
英文别名:
8-iodo-1,3-dimethyl-7H-purine-2,6-dione;
Theophylline,8-iodo;
8-iodo-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione;
8-iodo-1,3-dimethyl-1,3-dihydropurine-2,6-dione;
8-iodo-1,3-dimethyl-3,7-dihydro-purine-2,6-dione;
8-iodo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione;
8-Jodtheophyllin;
8-Jod-1,3-dimethyl-3,7-dihydro-purin-2,6-dion;
F3284-8031;
8-Iodotheophylline;
8-Iod-theophyllin;
8-iodo-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione
精确分子量/精确质量:
305.96100
极性分子表面积/PSA:
72.68000
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: LQDFDEBMWZCIKY-UHFFFAOYSA-N

物化性质展开↓

密度:
2.11g/cm3
沸点:
488.5ºC at 760 mmHg
闪点:
249.2ºC
折射率:
1.7
蒸汽压:
1.08E-09mmHg at 25°C

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 86468-95-3

    8-trifluoroacetoxymercuritheophylline

  • ~97%

  • 24255-56-9

    8-iodo-1,3-dimethyl-7H-purine-2,6-dione

  • 58-55-9

    茶碱

  • ~10%

  • 24255-56-9

    8-iodo-1,3-dimethyl-7H-purine-2,6-dione

  • 1784-70-9

    1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione

  • 24255-56-9

    8-iodo-1,3-dimethyl-7H-purine-2,6-dione

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5909000
CHEMICAL NAME :
Theophylline, 8-iodo-
CAS REGISTRY NUMBER :
24255-56-9
BEILSTEIN REFERENCE NO. :
0203071
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H7-I-N4-O2
MOLECULAR WEIGHT :
306.08
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ CI F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03606

海关数据查看详细

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

上下游相关产品

上游产品

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  • 86468-95-3

    8-trifluoroacetoxymercuritheophylline

  • 58-55-9

    茶碱

  • 1784-70-9

    1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-1,3-dimethyl-8-thioxo-

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