3,6-二氯水杨酸

3,6-二氯水杨酸 基本信息
CAS号 3401-80-7 分子式 C7H4Cl2O3
分子量 207.01100 精确质量 　205.95400
PSA 　57.53000 LogP 　2.39720
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目录
基本信息 制备方法与用途 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：
3401-80-7
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分子式：
C7H4Cl2O3
分子量：
207.01100
中文名称：
3,6-二氯水杨酸
英文名称：
3,6-dichloro-2-hydroxybenzoic acid
中文别名：
3,6-二氯水杨酸;
3,6-二氯-2-羟基苯甲酸
英文别名：
3,6-dichloro-2-hydroxybenzoic acid;
3,6-DICHLOROSALICYLIC ACID;
Benzoic acid,3,6-dichloro-2-hydroxy;
EINECS 222-275-8;
Salicylic acid,3,6-dichloro;
3,6-Dichloro-2-hydroxy-benzoic acid;
2-Hydroxy-3,6-dichlorobenzoic acid;
2-Oxy-3,6-dichlorobenzoic acid;
3,6-Dichlor-2-hydroxy-benzoesaeure;
2-hydroxy-3,5-dichlorobenzoic acid
精确分子量/精确质量：
205.95400
极性分子表面积/PSA：
57.53000
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：
222-275-8
InChI：
InChI=1/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)

生产制备方法及用途展开↓

制备方法

其制备方法是将2,5-二氯苯酚与液体烧碱制得酚钠盐溶液,真空干燥,然后将釜温冷至100℃,慢慢通入干燥的二氧化碳,当釜内压力达到588～686kPa时停止通入二氧化碳,生成碳酸苯酚酯,在130～140℃发生分子重排反应得3,6-二氯-2-羟基苯甲酸钠,然后加水溶解,过滤,再加酸酸化得到产品。

用途简介

3,6-二氯-2-羟基苯甲酸是除草剂麦草畏的中间体。

物化性质展开↓

密度：
1.665 g/cm3
沸点：
306.7ºC at 760 mmHg
闪点：
139.3ºC
折射率：
1.641

安全信息展开↓

海关代码：
2918290000

合成路线查看所有的合成路线

  • 1918-00-9

    麦草畏

  • →

  • 50-00-0

    甲醛

  • +

  • 3401-80-7

    3,6-二氯水杨酸

  • 583-78-8

    2,5-二氯苯酚

  • +

  • 68938-81-8

    potassium,2,5-dichlorophenolate

  • →

  • 3401-80-7

    3,6-二氯水杨酸

  • 60-29-7

    乙醚

  • →

  • 3401-80-7

    3,6-二氯水杨酸

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VO2500000
CHEMICAL NAME :
Salicylic acid, 3,6-dichloro-
CAS REGISTRY NUMBER :
3401-80-7
BEILSTEIN REFERENCE NO. :
2938787
LAST UPDATED :
199701
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C7-H4-Cl2-O3
MOLECULAR WEIGHT :
207.01

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 :
1560 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 43(10),95,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
660 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 43(10),95,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 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: PB85-143766
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(9),55,1981 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
546 mg/kg/26W-I
TOXIC EFFECTS :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - catalases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other oxidoreductases
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 43(10),95,1978
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5230 ug/m3/26W-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - emphysema
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(9),55,1981

海关数据查看详细

中国海关编码：2918290000

概述：
2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。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
监管条件：
A.入境货物通关单B.出境货物通关单
检验检疫：
R.进口食品卫生监督检验S.出口食品卫生监督检验
摘要/Summary：
HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

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    potassium,2,5-dichlorophenolate

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