4430-45-9 (1-硫代异氰酸辛酯,Octyl isothiocyanate)

CAS号:
4430-45-9
中文名称:
1-硫代异氰酸辛酯
英文名称:
Octyl isothiocyanate
安全信息:
分子式:
C9H17NS
分子量:
171.302981138229

1-硫代异氰酸辛酯(4430-45-9)名称与标识符

名称

中文别名:
1-硫代异氰酸辛酯;异硫氰酸正辛酯;1-辛基异硫氰酸酯;1-异硫代氰酸辛酯;1-异硫氰酸辛酯;
英文别名:
octyl isothiocyanate;n-Octyl Isothiocyanate;1-Octyl isothiocyanate;1-isothiocyanatooctane;1-isothiocyanatooctan;1-isothiocyanato-octane;n-butyl isothiocyanate;octanisothiocyanate;Isothiocyanic Acid n-Octyl Ester;Isothiocyanic acid octyl ester;octylisothiocyanate;YEZHGQZHWKJPCM-UHFFFAOYSA-N;Octane, 1-isothiocyanato-;Isothiocyanic acid, octyl ester;n-octylisothiocyanate;1-Isothiocyanatooctane #;Octane,1-isothiocyanato-;octyl isothiocyanate, AldrichCPR;MS-20180;NS00031409;EINECS 224-625-5;DTXSID10196120;O0464;CHEMBL2285740;J-802260;MFCD00041139;J-650080;TRIMETHYLSILYLMETHYL ISOCYANIDE;UNII-9I83N3TI03;FT-0607995;?OCTYL ISOTHIOCYANATE;D91876;4430-45-9;SY048573;EN300-7692016;SCHEMBL331051;9I83N3TI03;AKOS003354787;DTXCID20118611;DB-051207;

标识符

MDL:
MFCD00041139
InChIKey:
YEZHGQZHWKJPCM-UHFFFAOYSA-N
Inchi:
1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
SMILES:
S=C=NCCCCCCCC
BRN:
1760783

1-硫代异氰酸辛酯(4430-45-9)物化性质

实验特性

  • LogP : 3.44970
  • PSA : 44.45000
  • 折射率 : 1.49
  • 水溶性 : It hydrolyzes in water.
  • 沸点 : 120°C/10mmHg(lit.)
  • 闪点 : 155 ºC
  • 颜色与性状 : 无色液体
  • 溶解性 : 不确定
  • 敏感性 : Moisture Sensitive
  • 最大波长(λmax) : 245(Dioxane)(lit.)
  • 密度 : 0.90

计算特性

  • 精确分子量 : 171.10800
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 7
  • 同位素质量 : 171.108
  • 重原子数量 : 11
  • 复杂度 : 117
  • 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) : 5
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 44.4

1-硫代异氰酸辛酯(4430-45-9)安全信息

1-硫代异氰酸辛酯(4430-45-9)国际标准相关数据

EINECS:
224-625-5

1-硫代异氰酸辛酯(4430-45-9)海关数据

海关编码:
2930909090
海关数据:

中国海关编码:

2930909090

概述:

2930909090. 其他有机硫化合物. 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:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

1-硫代异氰酸辛酯(4430-45-9)推荐厂家 更多厂家(16)

公司名称手机号/电话联系人QQ微信询单
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金锦乐(湖南)化学有限公司 金锦乐 1226360695
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JACS-郑州杰克斯化工产品有限公司 15981966935
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1-硫代异氰酸辛酯(4430-45-9)相关文献

1-硫代异氰酸辛酯(4430-45-9)参考资料

Reaxys RN:
1760783
Beilstein:
1760783
PubChem CID:

1-硫代异氰酸辛酯(4430-45-9) MSDS

基础信息

Name:N-Octyl isothiocyanate Material Safety Data Sheet
Synonym:
CAS:4430-45-9
Section 1 - Chemical Product ? MSDS Name:N-Octyl isothiocyanate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
4430-45-9N-Octyl isothiocyanate224-625-5
Hazard Symbols: XI
Risk Phrases: 36/37

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes and respiratory system.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
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:

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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 4430-45-9: 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: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 125 deg C @ 7.00mm
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 94 deg C ( 201.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8800g/cm3
Molecular Formula:
Molecular Weight: 171.30

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 4430-45-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Octyl 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
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 Irritating to eyes and respiratory system.
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# 4430-45-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4430-45-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4430-45-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A