5345-89-1 (2,6-二氯肉桂酸,2,6-Dichlorocinnamic acid)

快速询单

结构式：

2,6-二氯肉桂酸MOL文件

CAS号：

5345-89-1

中文名称：

2,6-二氯肉桂酸

英文名称：

2,6-Dichlorocinnamic acid

安全信息：

分子式：

C₉H₆Cl₂O₂

分子量：

217.0487408638

2,6-二氯肉桂酸(5345-89-1)名称与标识符

名称

中文别名：

2,6-二氯肉桂酸;2,6-二氯苯乙烯酸;2,6-Dichlorocinnamic Acid 2,6-二氯肉桂酸;2,6-二氯肉桂酸, 主要为反式;2,6-二氯肉桂酸,2,6-DICHLOROCINNAMIC ACID;

英文别名：

3-(2,6-Dichlorophenyl)acrylic acid;2,6-Dichlorocinnamic acid, predominantly trans;2,6-Dichlorocinnamic Acid;(2E)-3-(2,6-Dichlorophenyl)acrylic acid;3-(2,6-dichlorophenyl)-2-Propenoic acid;2,6-Dichlorociamic acid;2,6-tert-Dichlorocinnamic acid;3-(2,6-dichlorophenyl)-2-propenoicaci;3-(2,6-Dichlorophenyl)propenoic acid;AURORA 9364;RARECHEM BK HW 0012;trans-2,6-Dichlorocinnamic acid;(2E)-3-(2,6-Dichlorophenyl)prop-2-enoic acid;ZB005008;(E)-3-(2,6-dichlorophenyl)prop-2-enoate;(E)-3-(2,6-dichlorophenyl)-2-propenoate;(E)-3-[2,6-bis(chloranyl)phenyl]prop-2-enoate;A829606;2,6-Dichlorocinnamic acid,predominantly trans;LS-13576;NCGC00323243-01;AKOS000200534;(E)-3-(2,6-dichlorophenyl)prop-2-enoic acid;2-Propenoic acid, 3-(2,6-dichlorophenyl)-;SCHEMBL909921;OIPVGRCXMFBNAN-SNAWJCMRSA-N;Z2942852261;MFCD00004374;AB01102624-03;(2E)-3-(2,6-Dichlorophenyl)-2-propenoic acid #;trans-2,6-dichloro-cinnamic acid;EN300-17786;20595-49-7;Cinnamic acid, 2,6-dichloro-;F3098-3477;EN300-832967;EINECS 226-301-9;(E)-3-(2,6-Dichlorophenyl)acrylic acid;5345-89-1;(E)-3-(2,6-DICHLOROPHENYL)-2-PROPENOIC ACID;NS00044134;(E)-3-(2,6-DICHLORO-PHENYL)-ACRYLIC ACID;NSC 1762;3-(2,6-dichlorophenyl)prop-2-enoic acid;CS-W014823;NSC1762;AC1117;2,6-Dichloro-trans-cinnamic acid;STR03475;AS-871/41736030;2-propenoic acid, 3-(2,6-dichlorophenyl)-, (2E)-;Q63398331;InChI=1/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4;NSC-1762;3-(2,6-Dichlorophenyl)acrylicacid;(E)-3-(2,6-Dichlorophenyl)acrylicacid;DB-327897;ALBB-011733;STK301798;BBL037342;

标识符

MDL：

MFCD00004374

InChIKey：

OIPVGRCXMFBNAN-SNAWJCMRSA-N

Inchi：

1S/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4+

SMILES：

ClC1C=CC=C(C=1/C=C/C(=O)O)Cl

BRN：

1953654

2,6-二氯肉桂酸(5345-89-1)物化性质

实验特性

LogP : 3.09120
PSA : 37.30000
沸点 : 355.8℃ at 760 mmHg
熔点 : 194.0 to 198.0 deg-C
闪点 : 207.9℃
颜色与性状 : 未确定
溶解性 : 未确定。
密度 : 1.3115 (estimate)

计算特性

精确分子量 : 215.97400
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 215.974
重原子数量 : 13
复杂度 : 200
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 1
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.1
表面电荷 : 0
拓扑分子极性表面积 : 40.1

2,6-二氯肉桂酸(5345-89-1)安全信息

符号： GHS07
RTECS号： UD3333800
安全术语： S28
安全说明： S37
风险术语： R37/38
危险品标志： Xi
危害声明：H315,H319,H335
警示性声明：P261,P305+P351+P338,P302+P352,P321,P405,P501
提示语：警告
储存条件： Inert atmosphere,2-8°C(BD7237)
危险类别码： 37/38
信号词： Warning
HazardClass： IRRITANT

2,6-二氯肉桂酸(5345-89-1)国际标准相关数据

EINECS：

226-301-9

2,6-二氯肉桂酸(5345-89-1)海关数据

海关编码：

2916399090

海关数据：

中国海关编码：

2916399090

概述：

2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装

Summary：

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2,6-二氯肉桂酸(5345-89-1)生产方法和用途

用途：

2，4-二氯肉桂酸是一种有机合成中间体。

2,6-二氯肉桂酸(5345-89-1)推荐厂家更多厂家(30)

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2,6-二氯肉桂酸(5345-89-1)参考资料

Reaxys RN：

20440120

PubChem CID：

253662581

2,6-二氯肉桂酸(5345-89-1) MSDS

基础信息

Name:	2 6-Dichlorocinnamic Acid 99% Predominantly Trans Material Safety Data Sheet
Synonym:	3-(2,6-Dichlorophenyl)-2-Propenoic Acid
CAS:	5345-89-1

Section 1 - Chemical Product ? MSDS Name:2 6-Dichlorocinnamic Acid 99% Predominantly Trans Material Safety Data Sheet
Synonym:3-(2,6-Dichlorophenyl)-2-Propenoic Acid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5345-89-1	2,6-dichlorocinnamic Acid	99	226-301-9

Hazard Symbols: XI
Risk Phrases: 37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately 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.
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:
Treat symptomatically and supportively.

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:
Vacuum or sweep up material and place into a suitable disposal 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. Remove contaminated clothing and wash before reuse. 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# 5345-89-1: 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: Solid
Color: light beige
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 194.00 - 196.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H6Cl2O2
Molecular Weight: 217.05

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, dust generation, excess heat, strong oxidants.
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# 5345-89-1: UD3333800 LD50/LC50:
Not available.
Carcinogenicity:
2,6-dichlorocinnamic Acid - 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: XI
Risk Phrases:
R 37/38 Irritating to respiratory system and skin.
Safety Phrases:
S 28 After contact with skin, wash immediately
with...
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# 5345-89-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5345-89-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5345-89-1 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A