95233-37-7 (4-(4-氯苯基)环己基羧酸,4-(4-Chlorophenyl)cyclohexanecarboxylic acid)

快速询单

结构式：

4-(4-氯苯基)环己基羧酸MOL文件

CAS号：

95233-37-7

中文名称：

4-(4-氯苯基)环己基羧酸

英文名称：

4-(4-Chlorophenyl)cyclohexanecarboxylic acid

分子式：

C₁₃H₁₅ClO₂

分子量：

238.710003137589

4-(4-氯苯基)环己基羧酸(95233-37-7)名称与标识符

名称

中文别名：

4-(4-氯苯基)环己基羧酸;4-(4-氯苯基)环己基羧酸3-羟基苯乙酮;4-(4-氯苯基)环己基-1-羧酸;阿托伐醌中间体(2);反式 4-(4-氯苯基)环己基羧酸;

英文别名：

4-(4-Chlorophenyl)cyclohexanecarboxylic acid;(E)-4-(4-CHLOROPHENYL)CYCLOHEXANECARBOXYLIC ACID;4-(4'-Chlorophenyl)cyclohexancarboxylic acid;trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid;1,4-Dioxaspiro[4.5]dec-7-ene,8-(4-chlorophenyl);4-(4-chlorophenyl)cycIohex-3-en;4-(4-chlorophenyl)cyclohex-3-enone monoehtylene ketal;4-(4-chlorophenyl)cyclohexane-1-carboxylic acid;4-(4-CHLOROPHENYL)CYCLOHEXYLCARBOXYLIC ACID;4,4-DIMETHYL-6-ETHYNYLTHIOCHROMAN;Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-, trans-;Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-;Atovaquone Related Compound 1;cis-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid;4-(4-CHLOROPHENYL)CYCLOHEXANE CARBO;4-(4-Chlorophenyl)cyclohexanecarboxylic acid (ACI);MFCD00665919;MFCD06797626;trans 4-(4-chlorophenyl)-cyclohexane-1-carboxylic acid;1346600-43-8;SCHEMBL12905598;SCHEMBL637532;4-(4-chlorophenyl) cyclohexanecarboxylic acid;95233-37-7;12N-240;SB66535;DB-057569;(E)-4-(4-Chloro-phenyl)cyclohexanecarboxylic acid;SCHEMBL918204;49708-81-8;DTXSID80964358;4-(4-Chlorophenyl)cyclohexanecarboxylic acid, trans-;4-(4-CHLOROPHENYL)CYCLOHEXANE CARBOXYLIC ACID;CS-W019411;DS-0937;NS00003962;Oprea1_374119;E70394;4-(4-chlorophenyl)cyclohexanecarboxylic acid, AldrichCPR;(1r,4r)-4-(4-chlorophenyl)cyclohexane-1-carboxylic acid;4-(4-Chlorophenyl)cyclohexanecarboxylic acid, cis-;Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-, trans-; trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid; trans-4-(p-Chlorophenyl)cyclohexanecarboxylic acid; trans-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid;trans-?4-?(4-?Chlorophenyl)?cyclohexanecarboxyli?c Acid;H7K9WUV7GP;DB-307755;trans-4-(4-chlorophenyl)cyclohexane carboxylic acid;PS-7612;trans-4-(p-chlorophenyl)cyclohexane carboxylic acid;CCG-41223;AKOS005080984;NS00077684;4-(4-chlorophenyl)-cyclohexane-1-carboxylic acid;NXXDIEYTMQYWJU-HOMQSWHASA-N;Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-, cis-;J-513486;cis-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid; Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-, cis-; cis-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid;trans-4-(4-Chlorophenyl)cyclohexane-1-carboxylic acid;925WLS25HD;4-(4-chlorophenyl)cyclohexane-l-carboxylic acid;SY116250;trans-4-(4-Chlorophenyl)cyclohexanecarboxylicacid;trans-4-(p-Chlorophenyl)cyclohexanecarboxylic acid;(1r,4r)-4-(4-Chlorophenyl)cyclohexanecarboxylic acid;trans 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid;AC-6139;CS-W012833;SY109890;SB66837;4-(4-chloro-phenyl)-cyclohexanecarboxylic acid;4-(4-chlorophenyl)-cyclohexanecarboxylic acid;SR-01000631315-1;AKOS015999167;4-(4-Chlorophenyl)cyclohexan-1-carboxylic acid;

标识符

MDL：

MFCD00665919

InChIKey：

NXXDIEYTMQYWJU-UHFFFAOYSA-N

Inchi：

1S/C13H15ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h5-9,11H,1-4H2,(H,15,16)

SMILES：

O=C(C1CCC(C2C=CC(Cl)=CC=2)CC1)O

4-(4-氯苯基)环己基羧酸(95233-37-7)物化性质

实验特性

LogP : 3.69840
PSA : 37.30000
折射率 : 1.56
沸点 : 387.1±42.0 °C at 760 mmHg
熔点 : 250-255 ºC
闪点 : 187.9±27.9 °C
颜色与性状 : No data available
密度 : 1.2

计算特性

精确分子量 : 238.07600
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 238.0760574 g/mol
重原子数量 : 16
复杂度 : 238
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） : 3.7
拓扑分子极性表面积 : 37.3
分子量 : 238.71

4-(4-氯苯基)环己基羧酸(95233-37-7)安全信息

安全说明： S22-S26-S36/37/39
风险术语： R36/37/38
危险品标志： Xi
危害声明：H315; H319; H335
警示性声明：P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
储存条件： Store at room temperature
危险类别码： R36/37/38
信号词： Warning

4-(4-氯苯基)环己基羧酸(95233-37-7)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%

4-(4-氯苯基)环己基羧酸(95233-37-7)推荐厂家更多厂家(30)

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赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
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上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单

4-(4-氯苯基)环己基羧酸(95233-37-7)合成路线

合成路线：1 步

95233-36-6

_98%

95233-37-7

反应条件：

1.1 Reagents: Sodium hydroxide , Bromine Solvents: 1,4-Dioxane , Water ; 5 - 10 °C; < 20 °C; 6 h, rt
1.2 Reagents: Sodium pyrosulfite

参考文献：

Process for preparation of Atovaquone and polymorph thereof

, India, , ,

合成路线：1 步

128208-09-3

_89%

95233-37-7

反应条件：

1.1 Reagents: Lithium hydroxide Solvents: Methanol , Water ; 5 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; 30 min, pH 1; pH 5

参考文献：

Process for the preparation of 4-(4-chlorphenyl)cyclohexanecarboxylic acid

, China, , ,

合成路线：1 步

_85%

反应条件：

1.1 Reagents: Carbon disulfide , Aluminum chloride Solvents: Acetone ; 30 min, rt; rt → 0 °C
1.2 30 min, -5 - 0 °C; 0 °C → -30 °C
1.3 -30 - -20 °C; -20 °C → 5 °C
1.4 5 - 10 °C
1.5 Reagents: Hydrochloric acid Solvents: Water ; 30 min, cooled
1.6 Reagents: Sodium hydroxide Solvents: Water ; basified

参考文献：

Synthesis of 4-(4-chlorophenyl)cyclohexanecarboxylic acid

, China, , ,

合成路线：1 步

_27%

反应条件：

1.1 Reagents: Aluminum chloride Solvents: Carbon disulfide ; 3 h, -20 °C; 1 h, -20 °C; -20 °C → 10 °C
1.2 10 °C; 10 °C → 30 °C; 1 h, 25 - 30 °C; 30 °C → 40 °C; 12 h, 40 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ; cooled
1.4 Reagents: Sodium hydroxide , Chlorine Solvents: Water ; 30 min, 0 °C
1.5 Solvents: 1,4-Dioxane ; 0 - 5 °C; 5 °C → rt; 12 h, rt; rt → 10 °C
1.6 Reagents: Hydrochloric acid Solvents: Water ; pH 3

参考文献：

Process for preparation of 4-(4-chlorophenyl)cyclohexyl-1-formic acid 4-(4-chlorophenyl)-cyclohexyl-1-formic acid

, China, , ,

合成路线：1 步

95233-36-6

95233-37-7

反应条件：

1.1 Reagents: Sodium hydroxide , Bromine Solvents: 1,4-Dioxane , Water ; 0 °C; < 20 °C; 6 h, rt; overnight, rt

参考文献：

Medicaments for the treatment of toxoplasmosis

, United States, , ,

合成路线：1 步

165317-79-3

95233-37-7

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethyl acetate ; 14 h, 50 psi, rt

参考文献：

Preparation of spirocycloalkylazetidinones as hypocholesterolemic agents.

, United States, , ,

合成路线：1 步

95233-37-7

参考文献：

Pharmaceutical compositions containing cyclohexylnaphtoquinone derivatives for treating Babesia infection

, United States, , ,

合成路线：1 步

95233-37-7

参考文献：

Use of rifabutin and a combination of rifabutin and atovaquone in the treatment of Pneumocystis carinii infections

, World Intellectual Property Organization, , ,

合成路线：1 步

95233-37-7

参考文献：

Spirocycloalkyl-substituted azetidinones useful as hypocholesterolemic agents

, World Intellectual Property Organization, , ,

合成路线：1 步

95233-37-7

参考文献：

Combination of atovaquone with proguanil for the treatment of protozoal infections

, World Intellectual Property Organization, , ,

合成路线：1 步

95233-37-7

参考文献：

Pharmaceutical compositions containing cyclohexylnaphtoquinone derivatives for treatment of protozoal infections

, World Intellectual Property Organization, , ,

合成路线：1 步

95233-37-7

参考文献：

Methods and pharmaceutical compositions using 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone for treatment of cryptosporidiosis

, Canada, , ,

合成路线：1 步

95233-37-7

参考文献：

2-[4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone for the treatment of toxoplasmosis

, World Intellectual Property Organization, , ,

合成路线：1 步

95233-37-7

参考文献：

Preparation of naphthoquinone derivatives and pharmaceutical compositions containing them for treatment of infection with Pneumocystis carinii

, Japan, , ,

合成路线：1 步

95233-37-7

参考文献：

Naphthoquinone derivatives

, European Patent Organization, , ,

4-(4-氯苯基)环己基羧酸(95233-37-7)上下游

[4-(4-Chlorophenyl)cyclohexyl]methanol 阿托伐醌

4-(4-氯苯基)环己基羧酸(95233-37-7)相关文献

1. The detection of chiral perturbations in ferroelectric liquid crystals induced by dopants with axially chiral 2,2′-spirobiindan-1,1′-dione cores
Qian Cui,Christa M. Huntley,Robert P. Lemieux J. Mater. Chem. 2009 19 5188

4-(4-氯苯基)环己基羧酸(95233-37-7) MSDS

基础信息

Name:	4-(4-Chlorophenyl)cyclohexanecarboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS:	95233-37-7

Section 1 - Chemical Product ? MSDS Name:4-(4-Chlorophenyl)cyclohexanecarboxylic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
95233-37-7	4-(4-Chlorophenyl)cyclohexanecarboxyli	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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.
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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 95233-37-7: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 255 - 257 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H15ClO2
Molecular Weight: 238.71

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 95233-37-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(4-Chlorophenyl)cyclohexanecarboxylic acid - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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.
WGK (Water Danger/Protection)
CAS# 95233-37-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 95233-37-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 95233-37-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A