175135-22-5 (2-(正丙硫基)烟酸,2-(Propylthio)nicotinic Acid)

快速询单

结构式：

2-(正丙硫基)烟酸MOL文件

CAS号：

175135-22-5

中文名称：

2-(正丙硫基)烟酸

英文名称：

2-(Propylthio)nicotinic Acid

分子式：

C₉H₁₁NO₂S

分子量：

197.2541410923

2-(正丙硫基)烟酸(175135-22-5)名称与标识符

名称

中文别名：

2-(正丙硫基)烟酸;2-(正丙基硫代)烟酸;2-丙基硫代烟酸;3,5-二硝基-L-酪氨酸;2-(正丙硫基)烟酸,97%;

英文别名：

2-(n-Propylthio)nicotinic acid;2-(n-Propylmercapto)nicotinic acid~2-(n-Propylthio)pyridine-3-carboxylic acid;2-(Propylthio)nicotinic acid;2-propylsulfanylpyridine-3-carboxylic acid;2-(Propylthio)-3-Pyridinecarboxylicacid;2-propylthiopyridine-3-carboxylic acid;BUTTPARK 97\12-15;2-(Prop-1-ylthio)nicotinic acid;2-(N-Propylmercapto)nicotinicacid;2-(N-Propylthio)pyridine-3-carboxylicacid;2-(Prop-1-ylsulphanyl)pyridine-3-carboxylic acid;CHEMBL1333196;MLS000849768;Maybridge1_001579;CHEBI:167828;TS-00319;2-(propylthio)nicotinicacid;MFCD00051682;2-(propylsulfanyl)pyridine-3-carboxylic acid;W-206084;2-propylsulanylpyridine-3-carboxylic acid;HMS545P17;SMR000455786;FT-0608884;AKOS000143882;3-Pyridinecarboxylicacid, 2-(propylthio)-;175135-22-5;DTXSID30379074;SCHEMBL3093813;2-propylsulfanyl-nicotinic acid;Oprea1_716494;NS00098086;SB54115;CS-0320818;HMS2808C08;G62799;3-Pyridinecarboxylic acid, 2-(propylthio)-;DB-044008;

标识符

MDL：

MFCD00051682

InChIKey：

CSMDLVRDBYKTAH-UHFFFAOYSA-N

Inchi：

1S/C9H11NO2S/c1-2-6-13-8-7(9(11)12)4-3-5-10-8/h3-5H,2,6H2,1H3,(H,11,12)

SMILES：

S(C1C(C(=O)O)=CC=CN=1)CCC

2-(正丙硫基)烟酸(175135-22-5)物化性质

实验特性

LogP : 2.28190
PSA : 75.49000
沸点 : 349.1±27.0 °C at 760 mmHg
熔点 : 159 °C
蒸气压 : 0.0±0.8 mmHg at 25°C
闪点 : 164.9±23.7 °C
密度 : 1.3±0.1 g/cm3

计算特性

精确分子量 : 197.05100
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 4
同位素质量 : 197.051
重原子数量 : 13
复杂度 : 175
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） : 2.1
拓扑分子极性表面积 : 75.5A^2

2-(正丙硫基)烟酸(175135-22-5)安全信息

2-(正丙硫基)烟酸(175135-22-5)海关数据

海关编码：

2933399090

海关数据：

中国海关编码：

2933399090

概述：

2933399090. 其他结构含非稠合吡啶环的化合物. 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：

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(正丙硫基)烟酸(175135-22-5)推荐厂家更多厂家(6)

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
JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	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
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单

2-(正丙硫基)烟酸(175135-22-5) MSDS

基础信息

Name:	2-(Propylthio)nicotinic acid 97% Material Safety Data Sheet
Synonym:	2-(Propylthio)pyridine-3-carboxylic aci
CAS:	175135-22-5

Section 1 - Chemical Product ? MSDS Name:2-(Propylthio)nicotinic acid 97% Material Safety Data Sheet
Synonym:2-(Propylthio)pyridine-3-carboxylic aci

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175135-22-5	2-(Propylthio)nicotinic acid	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# 175135-22-5: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 160 - 162 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: C9H11NO2S
Molecular Weight: 197

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 175135-22-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(Propylthio)nicotinic 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# 175135-22-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175135-22-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175135-22-5 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A