127958-10-5 (2-甲基-4-苯基-5-嘧啶羧酸,2-Methyl-4-phenylpyrimidine-5-carboxylic acid)

快速询单

结构式：

2-甲基-4-苯基-5-嘧啶羧酸MOL文件

CAS号：

127958-10-5

中文名称：

2-甲基-4-苯基-5-嘧啶羧酸

英文名称：

2-Methyl-4-phenylpyrimidine-5-carboxylic acid

分子式：

C₁₂H₁₀N₂O₂

分子量：

214.220002651215

2-甲基-4-苯基-5-嘧啶羧酸(127958-10-5)名称与标识符

名称

中文别名：

2-甲基-4-苯基-5-嘧啶甲酸;2-甲基-4-苯基-5-嘧啶羧酸;2-甲基-4-苯基嘧啶-5-甲酸;2-甲基-4-苯基-嘧啶-5-甲酸;

英文别名：

2-Methyl-4-phenylpyrimidine-5-carboxylic acid;2-Methyl-4-Phenyl-5-Pyrimidinecarboxylic Acid;5-Pyrimidinecarboxylicacid, 2-methyl-4-phenyl-;2-methyl-4-phenyl-pyrimidine-5-carboxylic acid;5-Pyrimidinecarboxylicacid,2-methyl-4-phenyl;CC 20101;SDCCGMLS-0066023.P001;2-Methyl-4-phenylpyriMidin-5-carboxylic acid;2-methyl-4-phenyl-5-pyrimidinecarboxylic acid(SALTDATA: FREE);5-Carboxy-2-methyl-4-phenylpyrimidine, 5-Carboxy-2-methyl-4-phenyl-1,3-diazine;5-Pyrimidinecarboxylic acid, 2-methyl-4-phenyl-;AK126698;XKJAQESOTNACHT-UHFFFAOYSA-N;SBB094953;RP04896;OR23330;AKOS005265056;127958-10-5;FT-0612965;MFCD02682072;CS-0312710;DTXSID50380142;W-205288;A927010;5-Pyrimidinecarboxylicacid,2-methyl-4-phenyl-;SCHEMBL400143;2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLICACID;C72152;BRD-K96226146-001-01-4;2-methyl-4-phenyl-5-pyrimidinecarboxylic acid, AldrichCPR;PS-4297;NS00015904;ALBB-018096;DB-031344;

标识符

MDL：

MFCD02682072

InChIKey：

XKJAQESOTNACHT-UHFFFAOYSA-N

Inchi：

1S/C12H10N2O2/c1-8-13-7-10(12(15)16)11(14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16)

SMILES：

OC(C1=CN=C(C)N=C1C1C=CC=CC=1)=O

2-甲基-4-苯基-5-嘧啶羧酸(127958-10-5)物化性质

实验特性

LogP : 2.15020
PSA : 63.08000
沸点 : 375.2°C at 760 mmHg
熔点 : 216-217

计算特性

精确分子量 : 214.07400
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 2
同位素质量 : 214.074227566g/mol
重原子数量 : 16
复杂度 : 251
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） : 1.8
拓扑分子极性表面积 : 63.1

2-甲基-4-苯基-5-嘧啶羧酸(127958-10-5)安全信息

2-甲基-4-苯基-5-嘧啶羧酸(127958-10-5)海关数据

海关编码：

2933599090

海关数据：

中国海关编码：

2933599090

概述：

2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-甲基-4-苯基-5-嘧啶羧酸(127958-10-5)推荐厂家更多厂家(7)

公司名称	手机号/电话	联系人	QQ	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
上海麦克林生化科技股份有限公司	15221275939 021-50706066	沈经理	269348414	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
成都卡麦尔医药科技有限公司	15828051124 028-67136579	冷小文	380930097	询单
北京安瑞奇化学科技有限公司	15652429553 010-57108454	谢女士	619926762	询单

2-甲基-4-苯基-5-嘧啶羧酸(127958-10-5)参考资料

Reaxys RN：

PubChem CID：

2776510

2-甲基-4-苯基-5-嘧啶羧酸(127958-10-5) MSDS

基础信息

Name:	2-Methyl-4-phenyl-5-pyrimidinecarboxylic acid, 97% Material Safety Data Sheet
Synonym:
CAS:	127958-10-5

Section 1 - Chemical Product MSDS Name: 2-Methyl-4-phenyl-5-pyrimidinecarboxylic acid, 97% Material Safety Data Sheet
Synonym:

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
127958-10-5	2-Methyl-4-phenyl-5-pyrimidinecarboxyl	97%	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. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. 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.
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# 127958-10-5: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 216 - 217 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: C12H10N2O2
Molecular Weight: 214.22

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

SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 127958-10-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methyl-4-phenyl-5-pyrimidinecarboxylic 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: 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# 127958-10-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 127958-10-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 127958-10-5 is not listed on the TSCA inventory. It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 5/11/2003 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A