甲氯芬那酸

甲氯芬那酸 基本信息
CAS号 644-62-2 分子式 C14H11Cl2NO2
分子量 296.14900 精确质量  295.01700
PSA  49.33000 LogP  4.81660

基本信息 展开↓

CAS号:
644-62-2
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分子式:
C14H11Cl2NO2
分子量:
296.14900
中文名称:
甲氯芬那酸
英文名称:
meclofenamic acid
中文别名:
甲氯芬那酸;
2-[(2,6-二氯-3-甲基苯基)氨基]苯甲酸;
甲氯灭酸
英文别名:
meclofenamic acid;
2-(2,6-dichloro-3-methylanilino)benzoic acid;
Meclofenamic Acid
精确分子量/精确质量:
295.01700
极性分子表面积/PSA:
49.33000
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。
EINECS:
211-419-5
InChI:
The Key: SBDNJUWAMKYJOX-UHFFFAOYSA-N

物化性质展开↓

熔点:
257-259ºC
沸点:
399.4ºC at 760 mmHg
闪点:
195.3ºC

安全信息展开↓

海关代码:
2922499990

合成路线查看所有的合成路线

  • 64063-37-2

    2,6-二氯间甲苯胺

  • +

  • 1488-42-2

    二苯基碘酸

  • ~70%

  • 644-62-2

    甲氯芬那酸

  • 64063-37-2

    2,6-二氯间甲苯胺

  • +

  • 118-91-2

    2-氯苯甲酸

  • ~17%

  • 644-62-2

    甲氯芬那酸

  • 6385-02-0

    甲氯灭酸钠

  • 644-62-2

    甲氯芬那酸

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CB2900000
CHEMICAL NAME :
Anthranilic acid, N-(2,6-dichloro-m-tolyl)-
CAS REGISTRY NUMBER :
644-62-2
LAST UPDATED :
199703
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C14-H11-Cl2-N-O2
MOLECULAR WEIGHT :
296.16
WISWESSER LINE NOTATION :
QVR BMR BG FG C1

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 :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AGACBH Agents and Actions, A Swiss Journal of Pharmacology. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1969/70- Volume(issue)/page/year: 7,481,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
109 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 148,422,1965 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intrauterine
DOSE :
239 ng/kg
SEX/DURATION :
female 4 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
REFERENCE :
JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 63,365,1981
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
200 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
REFERENCE :
FESTAS Fertility and Sterility. (American Fertility Soc., 608 13th Ave. S, Birmingham, AL 35282) V.1- 1950- Volume(issue)/page/year: 38,238,1982
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
2750 ug/kg
SEX/DURATION :
female 1-3 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated) Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
REFERENCE :
BIREBV Biology of Reproduction. (Soc. for the Study of Reproduction, 309 W. Clark St., Champaign, IL 61820) V.1- 1969- Volume(issue)/page/year: 14,451,1976
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
15 mg/kg
SEX/DURATION :
female 16 week(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - parturition
REFERENCE :
JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 65,157,1982

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%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):5.2

2.氢键供体数量:2

3.氢键受体数量:3

4.可旋转化学键数量:3

5.互变异构体数量:4

6.拓扑分子极性表面积:49.3

7.重原子数量:19

8.表面电荷:0

9.复杂度:327

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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