89007-45-4 (4-异丙基苯基硫代异氰酸酯,4-Isopropylphenyl isothiocyanate)

快速询单

结构式：

4-异丙基苯基硫代异氰酸酯MOL文件

CAS号：

89007-45-4

中文名称：

4-异丙基苯基硫代异氰酸酯

英文名称：

4-Isopropylphenyl isothiocyanate

分子式：

C₁₀H₁₁NS

分子量：

177.266041040421

4-异丙基苯基硫代异氰酸酯(89007-45-4)名称与标识符

名称

中文别名：

4-异丙基苯基硫代异氰酸酯;1-异丙基-4-异硫氰酸苯酯;4-异丙基苯基异硫氰酸酯;

英文别名：

4-Isopropylphenyl isothiocyanate;1-isopropyl-4-isothiocyanatobenzene;1-isothiocyanato-4-propan-2-ylbenzene;SCHEMBL1022395;1-isothiocyanato-4-(propan-2-yl)benzene;4isopropylphenylisothiocyanate;F81519;FS-4151;1-Isopropyl-4-isothiocyanatobenzene #;HMS1786M10;4-iso-propylphenyl isothiocyanate;SY012576;AKOS001044397;4-Isopropylphenylisothiocyanate;89007-45-4;2-BIPHENYL-3,4-DIFLUORO-CARBOXYLICACID;Benzene, 1-isothiocyanato-4-(1-methylethyl)-;1-isothiocyanato-4-propan-2-yl-benzene;A843046;EN300-01245;MFCD00022060;FT-0618844;DTXSID20237477;Z56896772;BBL027868;STK803253;DB-004967;DTXCID20159968;

标识符

MDL：

MFCD00022060

InChIKey：

SNWJJTIJIDXIHL-UHFFFAOYSA-N

Inchi：

1S/C10H11NS/c1-8(2)9-3-5-10(6-4-9)11-7-12/h3-6,8H,1-2H3

SMILES：

S=C=NC1C=CC(=CC=1)C(C)C

BRN：

3240731

4-异丙基苯基硫代异氰酸酯(89007-45-4)物化性质

实验特性

LogP : 3.54430
PSA : 44.45000
折射率 : 1.6050
沸点 : 154-155°C 20mm
闪点 : 154-155°C/20mm
颜色与性状 : 无色刺激性液体
溶解性 : 可水解的
敏感性 : Moisture Sensitive
密度 : 1,03 g/cm3

计算特性

精确分子量 : 177.06100
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 2
同位素质量 : 177.061
重原子数量 : 12
复杂度 : 174
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

4-异丙基苯基硫代异氰酸酯(89007-45-4)安全信息

安全术语： 6.1
安全说明： S26-S36/37/39
包装等级： II
风险术语： R20/21/22; R36/37/38
危险品标志： Xn
危险品运输编号： 2810
PackingGroup： II
危险类别码： 20/21/22-36/37/38
HazardClass： 6.1

4-异丙基苯基硫代异氰酸酯(89007-45-4)国际标准相关数据

EINECS：

000-000-0

4-异丙基苯基硫代异氰酸酯(89007-45-4)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%

4-异丙基苯基硫代异氰酸酯(89007-45-4)推荐厂家更多厂家(11)

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
北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
上海依赫生物科技有限公司	17721395025 021-68882955	张经理	2423903095	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
广东翁江化学试剂有限公司	13927875076 0751-2815987	罗雪云	3007432263	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
上海阿拉丁生化科技股份有限公司	13167063860 13167063860	阿拉丁	3004013043	询单
上海阿拉丁生化科技股份有限公司	13167063860 13167063860	阿拉丁	3004013043	询单

4-异丙基苯基硫代异氰酸酯(89007-45-4)参考资料

Beilstein：

3240731

PubChem CID：

145194

4-异丙基苯基硫代异氰酸酯(89007-45-4) MSDS

基础信息

Name:	4-Isopropylphenyl isothiocyanate 95+% Material Safety Data Sheet
Synonym:
CAS:	89007-45-4

Section 1 - Chemical Product ? MSDS Name:4-Isopropylphenyl isothiocyanate 95+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
89007-45-4	4-Isopropylphenyl isothiocyanate	95+%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
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:

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:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store under an inert atmosphere.

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# 89007-45-4: 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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 154 - 155 deg C @20mmHg
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: 1.03
Molecular Formula: C10H11NS
Molecular Weight: 177.27

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 89007-45-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Isopropylphenyl 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: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 89007-45-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 89007-45-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 89007-45-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A