cas号： 2427-71-6 ，名称： 6-氯-2-羟基喹恶啉的性质/作用/用途-化学加百科

6-氯-2-羟基喹恶啉

6-氯-2-羟基喹恶啉基本信息
CAS号	2427-71-6	分子式	C8H5ClN2O
分子量	180.59368	精确质量	180.00904
PSA	41.5 A2	LogP	1.724±0.268

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基本信息制备方法与用途物化性质安全信息合成路线 MSDS 海关数据结构与计算数据上下游

基本信息展开↓

CAS号：: 2427-71-6
3D弹球模型：: 立即前往扯扯看
分子式：: C8H5ClN2O
分子量：: 180.59368
中文名称：: 6-氯-2-羟基喹恶啉
英文名称：: 2(1H)-Quinoxalinone, 6-chloro-
中文别名：: 6-氯-2-羟基喹恶啉;
6-氯-2-羟基喹噁啉;
6-氯-2(1H)-喹喔啉酮;
2-羟基-6-氯喹喔啉
英文别名：: 2(1H)-Quinoxalinone, 6-chloro-;
2-Quinoxalinol, 6-chloro- (6CI);
6-Chloro-2(1H)-quinoxalinone;
6-Chloro-1,2-dihydroquinoxalin-2-one;
6-Chloro-2-hydroxyquinoxaline;
6-Chloro-2-quinoxalinol;
6-Chloroquinoxalin-2-one;
6-Chloroquinoxalone
精确分子量/精确质量：: 180.00904
极性分子表面积/PSA：: 41.5 A2
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：: InChI=1/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4H,(H,11,12)

生产制备方法及用途展开↓

制备方法

其制备方法是在反应釜中加入N-4-氯-2-硝基苯基乙酰基乙酰胺和溶剂,减压加热回流1.5h,冷却至室温,转移至还原釜中,加入还原剂,还原剂可以是硼氢化钠或亚硫酸氢钠,室温还原1.5h,转移至中和釜中进行中和至pH=4,然后过滤,滤饼洗至中性,干燥得成品。

合成制备方法

其制备方法是在反应釜中加入N-4-氯-2-硝基苯基乙酰基乙酰胺和溶剂，减压加热回流1.5h，冷却至室温，转移至还原釜中，加入还原剂，还原剂可以是硼氢化钠或亚硫酸氢钠，室温还原1.5h，转移至中和釜中进行中和至pH＝4，然后过滤，滤饼洗至中性，干燥得成品。

用途简介

2-羟基-6-氯喹喔啉是除草剂喹禾灵的中间体。

用途

2-羟基-6-氯喹喔啉是除草剂喹禾灵的中间体。

物化性质展开↓

外观与性状：: 结晶粉末
密度：: 1.50±0.1 g/cm3
熔点：: 300-305 °C
沸点：: 160-170 °C
闪点：: 193.6ºC
水溶解性：: Sparingly Soluble (0.52 g/L)
折射率：: 1.688
蒸汽压：: 7.46E-07mmHg at 25°C
其它信息：: 1.      性状：白色结晶

2.      密度（g/mL, ,20℃）：未确定

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC）：未确定

5.      沸点（ºC,常压）：未确定

6.      沸点（ºC 3.5mmHg）：未确定

7.      折射率（nD20）：未确定

8.      闪点（ºC）：未确定

9.      比旋光度（）：未确定

10.   自燃点或引燃温度（ºC）：未确定

11.   蒸气压（Pa,20ºC）：未确定

12.   饱和蒸气压（kPa, 0ºC）：未确定

13.   燃烧热（KJ/mol）：未确定

14.   临界温度（ºC）：未确定

15.   临界压力（KPa）：未确定

16.   油水（辛醇/水）分配系数的对数值：未确定

17.   爆炸上限（%,V/V）：未确定

18.   爆炸下限（%,V/V）：未确定

19.   溶解性：难溶于水

安全信息展开↓

海关代码：: 2933990090
WGK_Germany：: 3
德国有关水污染物质的分类清单
安全说明：: S24/25

合成路线查看所有的合成路线

34836-97-0

6-chloro-1,2-dihydro-2-oxoquinoxaline 4-oxide
→

~94%
1196-57-2

2-羟基喹喔啉
+
2427-71-6

6-氯-2-羟基喹恶啉
+
89938-22-7

6-氯-3,4-二氢-2(1H)-喹噁啉酮
+
6639-79-8

2,3-二羟基-6-氯喹喔啉

34836-97-0

6-chloro-1,2-dihydro-2-oxoquinoxaline 4-oxide
→

~94%
2427-71-6

6-氯-2-羟基喹恶啉
+
89938-22-7

6-氯-3,4-二氢-2(1H)-喹噁啉酮

34836-97-0

6-chloro-1,2-dihydro-2-oxoquinoxaline 4-oxide
→

~73%
1196-57-2

2-羟基喹喔啉
+
2427-71-6

6-氯-2-羟基喹恶啉

MSDS 展开↓

Material Safety Data Sheet

Section 1. Identiﬁcation of the substance
Product Name: 6-Chloro-2(1h)-quinoxalinone
Synonyms:

Section 2. Hazards identiﬁcation
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: 6-Chloro-2(1h)-quinoxalinone
CAS number: 2427-71-6

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    ﬂushing of the eyes by separating the eyelids with ﬁngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire ﬁghting measures
    In the event of a ﬁre involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator
    Hand precaution:        Wear suitable gloves/gauntlets
    Skin protection:        Wear suitable protective clothing
    Eye protection:        Wear suitable eye protection
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualiﬁed
    in the handling and use of potentially hazardous chemicals, who should take into account the ﬁre,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speciﬁed
    Boiling point:        No data
    No data
    Melting point:
    Flash point:        No data
    Density:        No data
    Molecular formula:        C8H5ClN2O
    Molecular weight:        180.6

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ﬂames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

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%

分子结构与计算化学数据展开↓

分子结构数据

1、摩尔折射率：47.05

2、摩尔体积（m³/mol）：120.3

3、等张比容（90.2K）：350.2

4、表面张力（dyne/cm）：71.6

5、极化率（10^-24cm³）：18.65

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:2

6.拓扑分子极性表面积41.5

7.重原子数量:12

8.表面电荷:0

9.复杂度:229

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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