629-12-9 (1-硫代异氰酸戊酯,pentyl isothiocyanate)

快速询单

结构式：

1-硫代异氰酸戊酯MOL文件

CAS号：

629-12-9

中文名称：

1-硫代异氰酸戊酯

英文名称：

pentyl isothiocyanate

分子式：

C₆H₁₁NS

分子量：

129.2232401371

1-硫代异氰酸戊酯(629-12-9)名称与标识符

名称

中文别名：

1-硫代异氰酸戊酯;1-戊基异硫氰酸酯;异硫氰酸戊酯;异硫氰酸正戊酯;1-异硫氰酸戊酯;

英文别名：

pentyl isothiocyanate;1-Pentyl isothiocyanate;1-isothiocyanatopentane;Amyl isothiocyanate;n-Pentyl isothiocyanate;n-Amyl isothiocyanate;n-AmylIsothiocyanate;DTXSID10212071;SCHEMBL175645;GEO-02897;CHEMBL1814589;UNII-KL6U8NL15R;NS00022579;AMYL ISOTHIOCYANATE [FHFI];1-Isothiocyanatopentane #;Pentane, 1-isothiocyanato-;EINECS 211-075-6;629-12-9;Q27282319;FEMA NO. 4417;KL6U8NL15R;1-isothiocyanato-pentane;FT-0632660;BP-12930;AKOS000212508;MFCD00014444;ISOTHIOCYANIC ACID, PENTYL ESTER;BBL027805;STK802154;pentylisothiocyanate;DB-054327;

标识符

MDL：

MFCD00014444

InChIKey：

SGHJUJBYMSVAJY-UHFFFAOYSA-N

Inchi：

1S/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3

SMILES：

S=C=NCCCCC

BRN：

1746691

1-硫代异氰酸戊酯(629-12-9)物化性质

实验特性

LogP : 2.27940
PSA : 44.45000
折射率 : 1.4965
沸点 : 193 ºC
闪点 : 65 ºC
颜色与性状 : 无色液体。
溶解性 : 与水可水解。
敏感性 : Moisture Sensitive
密度 : 0.91

计算特性

精确分子量 : 129.06100
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 4
同位素质量 : 129.061
重原子数量 : 8
复杂度 : 84.5
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） : 无
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 44.4A^2

1-硫代异氰酸戊酯(629-12-9)安全信息

安全术语： 8
安全说明： S26-S36/37/39
包装等级： III
风险术语： R10
危险品运输编号： 3080
PackingGroup： III
危险类别码： 10-22-23-36/37/38-42
HazardClass： 8

1-硫代异氰酸戊酯(629-12-9)国际标准相关数据

EINECS：

211-075-6

1-硫代异氰酸戊酯(629-12-9)推荐厂家更多厂家(9)

公司名称	手机号/电话	联系人	QQ	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	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
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	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
深圳市中发源生物科技有限公司	18129803827 0755-23105005	林小姐	3158423203	询单
广东翁江化学试剂有限公司	13927875076 0751-2815987	罗雪云	3007432263	询单

1-硫代异氰酸戊酯(629-12-9)相关文献

1. Chemistry of polynuclear metal complexes with bridging carbene or carbyne ligands. Part 106. Synthesis and reactions of the alkylidyne complexes [M(CR)(CO)2{(C6F5)AuC(pz)3}](M = WorMo, R = alkyloraryl, pz = pyrazol-1-yl); crystal structure of [WPtAU(C6F5)(μ3-CMe)(CO)2(PMe2Ph)2{(C6F5)AuC(pz)3}]
Peter K. Byers,Nicholas Carr,F. Gordon A. Stone J. Chem. Soc. Dalton Trans. 1990 3701

1-硫代异氰酸戊酯(629-12-9) MSDS

基础信息

Name:	Pentyl isothiocyanate 95+% Material Safety Data Sheet
Synonym:	n-Amylisothiocyanat
CAS:	629-12-9

Section 1 - Chemical Product ? MSDS Name:Pentyl isothiocyanate 95+% Material Safety Data Sheet
Synonym:n-Amylisothiocyanat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
629-12-9	Pentyl isothiocyanate	95+%	211-075-6

Hazard Symbols: C
Risk Phrases: 20/21/22 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns. Lachrymator (substance which increases the flow of tears).
Skin:
Harmful if absorbed through the skin. Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
? Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under nitrogen.

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# 629-12-9: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 117 - 119 deg C @70mmHg
Freezing/Melting Point: Not available.
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: 0.93
Molecular Formula: C6H11NS
Molecular Weight: 129

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Bases, amines, strong 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# 629-12-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Pentyl isothiocyanate - 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
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.*
Hazard Class: 8 (6.1)
UN Number: 2922
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2922
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2922
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 629-12-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 629-12-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 629-12-9 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A