2,4-二氟苯肼

2,4-二氟苯肼 基本信息
CAS号 40594-30-7 分子式 C6H6F2N2
分子量 144.12200 精确质量  144.05000
PSA  38.05000 LogP  2.02370

基本信息 展开↓

CAS号:
40594-30-7
3D弹球模型:
立即前往扯扯看
分子式:
C6H6F2N2
分子量:
144.12200
中文名称:
2,4-二氟苯肼
英文名称:
(2,4-Difluoro-phenyl)-hydrazine
中文别名:
2,4-二氟苯肼;
2-methylnonan-1-ol;
1-Methylcyclobutylamine;
1-methyl-Cyclobutylamine;
Cyclobutanamine, 1-methyl-;
N-ETHYL-N-SULFOPROPYL-3-TOLUIDINE SODIUM SALT;
N-ETHYL-N-SULFOPROPYL-M-TOLUIDINE;
N-ETHYL-N-SULFOPROPYL-M-TOLUIDINE SODIUM SALT;
TOPS, SODIUM SALT;
N-ethyl-N-(3-sulfopropyl)-m-toluidine, sodium salt;
N-Ethyl-N-(3-sulfopropyl)-3-methylaniline sodium salt;
1-[ethyl(3-methylphenyl)amino]propane-1-sulfonic acid;
sodium 3-[ethyl(3-methylphenyl)amino]propane-1-sulfonate;
3-[Ethyl(3-methyIphenyl)amino]-1-propane sulfonic acid, Sodium Salt;
Prowl 3.3E;
Prowl 4E;
Sipaxol;
Wax Up;
Herbadox;
Stomp;
3,4-dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline;
N-(1-ethylpropyl)-3,4,6-trimethyl-2-nitro-aniline;
Pendimethalin
英文别名:
(2,4-Difluoro-phenyl)-hydrazine;
(2,4-difluorophenyl)hydrazine
精确分子量/精确质量:
144.05000
极性分子表面积/PSA:
38.05000
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/C6H6F2N2.ClH/c7-4-1-2-6(10-9)5(8)3-4;/h1-3,10H,9H2;1H

生产制备方法及用途展开↓

制备方法


用于医药中间体

用途简介


用途


用于医药中间体

物化性质展开↓

密度:
1.379 g/cm3
熔点:
65 °C
沸点:
185.1ºC at 760 mmHg
闪点:
65.7ºC
存储条件/存储方法:

 密封、阴凉、干燥保存

稳定性相关:

常规情况下不会分解,没有危险反应

其它信息:

1.       性状:未确定

2.       密度(g/mL,20ºC):未确定

3.       相对蒸汽密度(g/mL,空气=1): 未确定

4.       熔点(ºC):65

5.       沸点(ºC):未确定

6.       沸点(ºC10mm hg):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC): 未确定

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:未确定

安全信息展开↓

海关代码:
2928000090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R20/21/22;R36/37/38
安全说明:
S26-S36/37
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 40594-29-4

    (2,4-Difluorophenyl)hydrazine hydrochloride (1:1)

  • ~98%

  • 40594-30-7

    2,4-二氟苯肼

  • 158386-97-1

    3-(2-甲基-3-呋喃)-3-氧丙腈

  • +

  • 371-14-2

    4-氟苯肼

  • 40594-30-7

    2,4-二氟苯肼

毒理性展开↓

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

 

MSDS 展开↓

Name: 1-(2 4-Difluorophenyl)hydrazine 95+% Material Safety Data Sheet
Synonym:
CAS: 40594-30-7
Section 1 - Chemical Product   MSDS Name:1-(2 4-Difluorophenyl)hydrazine 95+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
40594-30-7 1-(2,4-Difluorophenyl)hydrazine 95+% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 40594-30-7: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: beige
Odor: characteristic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 63 - 65 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H6F2N2
Molecular Weight: 144

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 40594-30-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(2,4-Difluorophenyl)hydrazine - Not listed by ACGIH, IARC, or NTP.

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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 40594-30-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 40594-30-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 40594-30-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2928000090

概述:
2928000090 其他肼(联氨)及胲(羟胺)的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。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
摘要/Summary:
2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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):1.4

2.氢键供体数量:2

3.氢键受体数量:4

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38

7.重原子数量:10

8.表面电荷:0

9.复杂度:110

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
  • 40594-29-4

    (2,4-Difluorophenyl)hydrazine hydrochloride (1:1)

  • 158386-97-1

    3-(2-甲基-3-呋喃)-3-氧丙腈

  • 371-14-2

    4-氟苯肼

下游产品

更多
  • 37847-52-2

    2,4-二氟联苯

  • 618098-78-5

    1-(2,4-difluorophenyl)-3-(4-fluorophenyl)pyrazole-4-carbaldehyde

  • 40594-09-0

    氟西吲哚

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