90176-80-0 (4-氟-2-三氟甲基苯甲醛,4-Fluoro-2-(trifluoromethyl)benzaldehyde)

快速询单

结构式：

4-氟-2-三氟甲基苯甲醛MOL文件

CAS号：

90176-80-0

中文名称：

4-氟-2-三氟甲基苯甲醛

英文名称：

4-Fluoro-2-(trifluoromethyl)benzaldehyde

安全信息：

分子式：

C₈H₄F₄O

分子量：

192.110376358032

4-氟-2-三氟甲基苯甲醛(90176-80-0)名称与标识符

名称

中文别名：

4-氟-2-三氟甲基苯甲醛;4-氟-2-(三氟甲基)苯甲醛;2-(三氟甲基)-4-氟苯甲醛;2-三氟甲基-4-氟苯甲醛;4-Fluoro-2-(trifluoromethyl)benzaldehyde 4-氟-2-(三氟甲基)苯甲醛;5-氟-2-三氟甲基苯甲醛;

英文别名：

4-Fluoro-2-(trifluoromethyl)benzaldehyde;4-fluoro-2-trifluoromethyl benzaldehyde;5-Fluoro-2-formylbenzotrifluoride;Benzaldehyde, 4-fluoro-2-(trifluoromethyl)-;2-Trifluoromethyl-4-fluorobenzaldehyde;2-(Trifluoromethyl)-4-fluorobenzaldehyde;4-fluoro-2-trifluoromethylbenzaldehyde;4-Fluoro-2-trifluoromethyl-benzaldehyde;NONOHEMDNFTKCZ-UHFFFAOYSA-N;ALPHA,ALPHA,ALPHA,4-TETRAFLUORO-O-TOLUALDEHYDE;PubChem4241;KSC487Q2T;PARAGOS 530044;CL8355;SBB063664;4-Fluoro-2-(trifluoromethyl)benzaldehyde (ACI);4-fluoro-2-(trifluormethyl)benzaldehyde;DTXCID60286207;4-fluoro-2-(trifluromethyl) benzaldehyde;DTXSID10335118;PS-8339;4-fluoro-2 trifluoromethyl-benzaldehyde;AKOS005064086;SCHEMBL333114;90176-80-0;F0544;2-TRIFLUOROMETHOXY-4-FLUOROBENZALDEHYDE;4-Fluoro-2-(trifluoromethyl )benzaldehyde;4-Fluoro-2-(trifluoromethyl)benzaldehyde, 98%;SY016227;MFCD00061313;Z1203162013;AC-3853;CS-W015827;EN300-113072;

标识符

MDL：

MFCD00061313

InChIKey：

NONOHEMDNFTKCZ-UHFFFAOYSA-N

Inchi：

1S/C8H4F4O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-4H

SMILES：

O=CC1C(C(F)(F)F)=CC(F)=CC=1

BRN：

5932091

4-氟-2-三氟甲基苯甲醛(90176-80-0)物化性质

实验特性

LogP : 2.65700
PSA : 17.07000
折射率 : n20/D 1.452(lit.)
沸点 : 114 °C(lit.)
蒸气压 : 0.4±0.4 mmHg at 25°C
闪点 : 华氏：134.6 °F
摄氏：57 °C
颜色与性状 : 液体
溶解性 : 未确定
敏感性 : Air Sensitive
密度 : 1.408 g/mL at 25 °C(lit.)

计算特性

精确分子量 : 192.02000
氢键供体数量 : 0
氢键受体数量 : 5
可旋转化学键数量 : 1
同位素质量 : 192.02
重原子数量 : 13
复杂度 : 189
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 : 0
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） : 2.4
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 17.1

4-氟-2-三氟甲基苯甲醛(90176-80-0)安全信息

符号： GHS02 GHS07
WGK Germany： 3
安全术语： 3
安全说明： S26-S36-S37/39
包装等级： III
风险术语： R36/37/38
危险品标志： Xi
危险品运输编号： UN 1989 3/PG 3
危害声明：H226,H315,H319,H335
警示性声明：P261,P305+P351+P338
提示语：警告
储存条件：储存温度2-8℃,充氩保存
PackingGroup： III
危险类别码： 36/37/38
信号词： Warning
HazardClass： 3

4-氟-2-三氟甲基苯甲醛(90176-80-0)国际标准相关数据

EINECS：

MFCD00061313

4-氟-2-三氟甲基苯甲醛(90176-80-0)海关数据

海关编码：

2913000090

海关数据：

中国海关编码：

2913000090

概述：

2913000090 品目2912所列产品的其他衍生物〔指卤化,磺化,硝化或亚硝化的衍生物〕. 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

Summary：

HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

4-氟-2-三氟甲基苯甲醛(90176-80-0)推荐厂家更多厂家(44)

公司名称	手机号/电话	联系人	QQ	询单
湖北佩孜医药科技有限公司	17720472265 0712-4220300	龚	2195228001	询单
郑州阿尔法化工有限公司	15324716602 0371-55013243	刘经理	2853979810	询单
湖北方德新材料有限公司	18086096695	邱经理	1462312301	询单
湖北云镁科技有限公司	18327059871 027-59206672	方经理	235010015	询单
上海创赛科技有限公司	15021221957 021-59553580	凌度	2852351983	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
铼博（上海）生化科技有限公司	13311756052 021-60536361 13311756052 13311756131	张经理	2851717387	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单

4-氟-2-三氟甲基苯甲醛(90176-80-0)合成路线

合成路线：1 步

40161-55-5

68-12-2

_94%

90176-80-0

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; 0.5 s, -30 °C
1.2 Solvents: Tetrahydrofuran ; 0.5 h, -30 °C
1.3 Reagents: Citric acid Solvents: Water ; 0 °C

参考文献：

Flow Chemistry on Multigram Scale: Continuous Synthesis of Boronic Acids within 1 s

Hafner, Andreas; Meisenbach, Mark; Sedelmeier, Joerg, Organic Letters, 2016, 18(15), 3630-3633

合成路线：1 步

40161-55-5

68-12-2

_94%

90176-80-0

反应条件：

1.1 Reagents: Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran ; rt; 2 h, rt; rt → 15 °C
1.2 15 °C; 2 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ; 0.5 h, rt

参考文献：

Synthesis of 4-amino-2-(trifluoromethyl)benzonitrile-an intermediate for bicalutamide

Xie, Yuan; Chen, Hong-bo; Zhang, Tong-bin, Jingxi Huagong Zhongjianti, 2012, 42(5), 40-42

4-氟-2-三氟甲基苯甲醛(90176-80-0)上下游

间氟三氟甲苯 N,N-二甲基甲酰胺

4-氟-2-三氟甲基苯甲醛(90176-80-0)参考资料

Reaxys RN：

5932091

Beilstein：

5932091

PubChem CID：

522940

4-氟-2-三氟甲基苯甲醛(90176-80-0) MSDS

基础信息

Name:	4-Fluoro-2-(trifluoromethyl)benzaldehyde 98% Material Safety Data Sheet
Synonym:	None
CAS:	90176-80-0

Section 1 - Chemical Product ? MSDS Name:4-Fluoro-2-(trifluoromethyl)benzaldehyde 98% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
90176-80-0	4-Fluoro-2-(trifluoromethyl)benzaldehy	98.0	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.

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.
Antidote: None reported.

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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
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. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 90176-80-0: 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: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 114 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 56 deg C ( 132.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.4080g/cm3
Molecular Formula: C8H4F4O
Molecular Weight: 192.11

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, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 90176-80-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Fluoro-2-(trifluoromethyl)benzaldehyde - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
? Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: FLAMMABLE LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: III
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1993
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 90176-80-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 90176-80-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 90176-80-0 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A