5-氯-2-碘三氟甲苯

5-氯-2-碘三氟甲苯 基本信息
CAS号 23399-77-1 分子式 C7H3ClF3I
分子量 306.45100 精确质量  305.89200
PSA  0.00000 LogP  3.96340

基本信息 展开↓

CAS号:
23399-77-1
3D弹球模型:
立即前往扯扯看
分子式:
C7H3ClF3I
分子量:
306.45100
中文名称:
5-氯-2-碘三氟甲苯
英文名称:
4-chloro-1-iodo-2-(trifluoromethyl)benzene
中文别名:
5-氯-2-碘三氟甲苯;
5-氯-2-碘代苯并三氟
英文别名:
4-chloro-1-iodo-2-(trifluoromethyl)benzene;
4-chloro-2-(trifluoromethyl)-1-iodobenzene;
2-trifluoromethyl-4-chloro iodobenzene;
4-chloro-1-iodo-2-trifluoromethylbenzene;
4-chloro-2-trifluoromethyliodobenzene;
4-chloro-2-trifluoromethyl phenyl iodide;
5-Chloro-2-iodobenzotrifluoride
精确分子量/精确质量:
305.89200
极性分子表面积/PSA:
0.00000
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:
MFCD00042579
InChI:
The Key: DRMQJFVDZWIKTE-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
透明略棕色至棕色液体在熔点后
密度:
1.97
熔点:
29-31 °C
沸点:
219.6ºC at 760 mmHg
闪点:
86.6ºC
折射率:
1.5495-1.5515
蒸汽压:
0.175mmHg at 25°C
存储条件/存储方法:

储存在阴凉,干燥的地方

稳定性相关:

常温常压下稳定

避免接触强氧化剂,强酸

安全信息展开↓

海关代码:
2903999090
危险类别码:
R34
安全说明:
S45-S36/37/39-S26
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。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
C: Corrosive;

MSDS 展开↓

Name: 5-Chloro-2-Iodobenzotrifluoride 99% Material Safety Data Sheet
Synonym: 4-Chloro-1-Iodo-2-(Trifluoromethyl)Benzen
CAS: 23399-77-1
Section 1 - Chemical Product   MSDS Name:5-Chloro-2-Iodobenzotrifluoride 99% Material Safety Data Sheet
Synonym:4-Chloro-1-Iodo-2-(Trifluoromethyl)Benzen

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
23399-77-1 5-Chloro-2-Iodobenzotrifluoride 99 unlisted
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. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 23399-77-1: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides).2.5 mg/m3 TWA (as F) (listed under Fluorides).
France - VME: (listed as fluorides): 2.5 mg/m3 VME (as F) Germany: (listed as fluorides): 2.5 mg/m3 VME (as F) Malaysia: (listed as fluorides): 2.5 mg/m3 TWA (as F) Netherlands: (listed as fluorides): 3.5 mg/m3 STEL (as F) 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:
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: Liquid above room te
Color: clear slight brown
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 29.00 - 31.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density: 1.9740g/cm3
Molecular Formula: C7H3ClF3I
Molecular Weight: 306.44

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases, chlorine, fluoride fumes, fluorine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 23399-77-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Chloro-2-Iodobenzotrifluoride - 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 LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 23399-77-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 23399-77-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 23399-77-1 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:2903999090

概述:
2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% 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):4.1

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:12

8.表面电荷:0

9.复杂度:159

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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