2,4-二氯苄醇

2,4-二氯苄醇 基本信息
CAS号 1777-82-8 分子式 C7H6Cl2O
分子量 177.02800 精确质量 　175.98000
PSA 　20.23000 LogP 　2.48570
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
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 化学图谱 毒性 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
1777-82-8
3D弹球模型：
立即前往扯扯看
分子式：
C7H6Cl2O
分子量：
177.02800
中文名称：
2,4-二氯苄醇
英文名称：
2,4-dichlorobenzyl alcohol
中文别名：
2,4-二氯苄醇;
2,4-二氯苯甲醇
英文别名：
2,4-dichlorobenzyl alcohol;
2,4,6;
(2,4-Dichlorophenyl)methanol;
2,4-Dichlorobenzyl Alcohol;
Benzenemethanol,2,4-dichloro;
2,4-dichlorbenzyl alcohol;
(2,4-dichlorophenyl)methanol
精确分子量/精确质量：
175.98000
极性分子表面积/PSA：
20.23000
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。
贝尔斯坦号/MDL：
MFCD00004606
EINECS：
217-210-5
PubChem：
24848792
BRN：
1448652
InChI：
InChI=1/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2

生产制备方法及用途展开↓

制备方法

1.苯甲醇在浓盐酸存在下与氯气发生加成反应制得。

合成制备方法

1.苯甲醇在浓盐酸存在下与氯气发生加成反应制得。

用途简介

作为一种抗真菌保存剂，他被用于个人防护品，医药及家用产品中，作为抗真菌活性物用于脚霜和洗液，作为杀菌活性剂用于咳嗽糖浆，漱口剂配方和皮肤防腐剂中。它还用于药物，化妆品和工业产品保存中，有效地杀灭真菌，且具有好的安全性。其也可以与其他杀菌剂复配使用。一般使用浓度为0.05%-0.5%，最佳pH值为4-10。白色或微黄色块状结晶粉末。

用途

1.用作医药中间体.

2.主要用作水溶液、护肤乳液和膏霜、凝胶制品的防腐剂，还可作灭菌剂和消毒剂，用于灭菌油膏、口腔洗液和漱口液。

物化性质展开↓

外观与性状：
白色-淡黄色晶体
密度：
1.392 g/cm3
熔点：
55-58 °C(lit.)
沸点：
150 °C (25 mmHg)
闪点：
>230 °F
存储条件/存储方法：

严密密封容器贮藏，储存在阴凉、干燥的地方；

稳定性相关：

常温常压稳定

其它信息：

1.       性状：白色或淡黄色晶体

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）：57-61

5.       沸点（ºC/25mmHg  ）：150

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率：未确定

8.       闪点（ºF）：未确定

9.       比旋光度（º）：未确定

10.    自燃点或引燃温度（ºC）：>110

11.    蒸气压（kPa,25ºC）： 未确定

12.    饱和蒸气压（kPa,60ºC）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：对水0.1%  (20 ºC)，溶于无水乙醇、甲醇、丙二醇、丙醇、二甲基亚砜等有机溶剂。

安全信息展开↓

海关代码：
29062900
WGK_Germany：
2
德国有关水污染物质的分类清单
危险类别码：
R36/37/38
安全说明：
S24/25
RTECS号：
DO0890000
危险标志：
Xi: Irritant;

合成路线查看所有的合成路线

  • 877468-98-9

    2,4-dichloro-1-(methoxymethoxy)methyl benzene

  • →

    ~99%

  • 1777-82-8

    2,4-二氯苄醇

  • 1058649-24-3

    2,4-dichloro-1-[(ethoxymethoxy)methyl]benzene

  • →

    ~98%

  • 1777-82-8

    2,4-二氯苄醇

  • 874-42-0

    2.4-二氯苯甲醛

  • →

    ~98%

  • 1777-82-8

    2,4-二氯苄醇

化学图谱

  1. 2,4-二氯苯甲醇红外图谱(IR1)

  2. 2,4-二氯苯甲醇红外图谱(IR2)

  3. 2,4-二氯苯甲醇质谱(MS)

  4. 2,4-二氯苯甲醇核磁图(13CNMR)

  5. 2,4-二氯苯甲醇核磁图(1HNMR)

上一页 1/4 下一页

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DO0890000
CHEMICAL NAME :
Benzyl alcohol, 2,4-dichloro-
CAS REGISTRY NUMBER :
1777-82-8
BEILSTEIN REFERENCE NO. :
1448652
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H6-Cl2-O
MOLECULAR WEIGHT :
177.03
WISWESSER LINE NOTATION :
Q1R BG DG

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 :
2300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CTOIDG Cosmetics and Toiletries. (Allured Pub. Corp., POB 318, Wheaton, IL 60189) V.91- 1976- Volume(issue)/page/year: 95(6),59,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CTOIDG Cosmetics and Toiletries. (Allured Pub. Corp., POB 318, Wheaton, IL 60189) V.91- 1976- Volume(issue)/page/year: 95(6),59,1980
毒理学数据：

1、急性毒性：小鼠经口LC：2300mg/kg；小鼠经皮下LC50：1700mg/kg；

MSDS 展开↓

Name: 2 4-Dichlorobenzyl Alcohol 99% Material Safety Data Sheet
Synonym: Dybenal(R
CAS: 1777-82-8
Section 1 - Chemical Product   MSDS Name:2 4-Dichlorobenzyl Alcohol 99% Material Safety Data Sheet
Synonym:Dybenal(R
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1777-82-8 2,4-Dichlorobenzyl Alcohol 99% 217-210-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1777-82-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystals
Color: white - light yellow
Odor: characteristic odor - faint odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 150 deg C @ 25.00mm Hg
Freezing/Melting Point: 55 - 58 deg C
Autoignition Temperature: Not applicable.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: IN WATER: 0.1% (20C)
Specific Gravity/Density:
Molecular Formula: C7H6Cl2O
Molecular Weight: 177.03
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1777-82-8: DO0890000 LD50/LC50:
CAS# 1777-82-8: Oral, mouse: LD50 = 2300 mg/kg.
Carcinogenicity:
2,4-Dichlorobenzyl Alcohol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 1777-82-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1777-82-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1777-82-8 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

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）:无

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积20.2

7.重原子数量:10

8.表面电荷:0

9.复杂度:108

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

上下游相关产品

上游产品

更多

  • 874-42-0

    2.4-二氯苯甲醛

  • 94-99-5

    2,4-二氯氯苄

  • 624286-51-7

    2,4-(Cl)2C6H4CH2OTMS

  • 35112-28-8

    2,4-二氯苯甲酸甲酯

  • 50-84-0

    2,4-二氯苯甲酸

下游产品

更多

  • 50-84-0

    2,4-二氯苯甲酸

  • 874-42-0

    2.4-二氯苯甲醛

  • 14225-79-7

    2-(2,4-二氯苯基)-1H-苯并咪唑

  • 53056-20-5

    2,4-二氯苯乙酰氯

  • 59293-67-3

    2,4-二氯苄硫醇

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP