40046-30-8 (3,5-二甲基苯基硫代异氰酸酯,3,5-Dimethylphenyl isothiocyanate)

快速询单

结构式：

3,5-二甲基苯基硫代异氰酸酯MOL文件

CAS号：

40046-30-8

中文名称：

3,5-二甲基苯基硫代异氰酸酯

英文名称：

3,5-Dimethylphenyl isothiocyanate

安全信息：

分子式：

C₉H₉NS

分子量：

163.239460706711

3,5-二甲基苯基硫代异氰酸酯(40046-30-8)名称与标识符

名称

中文别名：

3,5-二甲基苯基硫代异氰酸酯;3,5-二甲基苯基异硫氰酸酯;异硫氰酸3,5-二甲基苯基酯;3,5-二甲基异硫氰酸苯酯;

英文别名：

3,5-Dimethylisothiocyanatobenzene;3,5-Dimethylphenyl isothiocyanate;1-isothiocyanato-3,5-dimethylbenzene;3,5-dimethylbenzenisothiocyanate;3,5-dimethylisothiocyanate;Isothiocyanic Acid 3,5-Dimethylphenyl Ester;3,5-dimethylphenylisothiocyanate;DSMXCADWIFIJEX-UHFFFAOYSA-N;3,5-Xylyl isothiocyanate;SBB087726;STL299666;1-isothiocyanato-3,5-dimethyl-benzene;NE10965;1-Isothiocyanato-3,5-dimethylbenzene #;D4944;ST50824852;A824869;SCHEMBL1020699;FT-0614699;H11297;DTXSID30193111;SY048336;FT-0614692;EN300-01238;LS-13608;MFCD00041082;J-802106;40046-30-8;AKOS001027769;DB-022102;DTXCID40115602;671-053-0;QBA04630;

标识符

MDL：

MFCD00041082

InChIKey：

DSMXCADWIFIJEX-UHFFFAOYSA-N

Inchi：

1S/C9H9NS/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3

SMILES：

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

BRN：

6856812

3,5-二甲基苯基硫代异氰酸酯(40046-30-8)物化性质

实验特性

LogP : 3.03770
PSA : 44.45000
折射率 : 1.6190
沸点 : 140 °C
熔点 : No data available
闪点 : 127.3±32.1 °C
颜色与性状 : 液体
溶解性 : 可水解的
敏感性 : Moisture Sensitive
密度 : 1.01 g/cm3

计算特性

精确分子量 : 163.04600
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 163.046
重原子数量 : 11
复杂度 : 162
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） : 4.1
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 44.4

3,5-二甲基苯基硫代异氰酸酯(40046-30-8)安全信息

符号： GHS05 GHS06
安全术语： 6.1
安全说明： S26-S36/37/39
包装等级： III
包装类别： III
风险术语： R20/21/22; R36/37/38
危险等级： 6.1
危险品标志： Xn
危险品运输编号： 2810
危害声明：H331,H302,H312,H314,H318
警示性声明：P260,P303+P361+P353,P305+P351+P338,P301+P330+P331,P405,P501A
提示语：危险
储存条件： Store at 4°C,-4℃下存储更优
PackingGroup： III
危险类别码： 20/21/22-36/37/38
信号词： warning
HazardClass： 6.1

3,5-二甲基苯基硫代异氰酸酯(40046-30-8)国际标准相关数据

EINECS：

000-000-0

3,5-二甲基苯基硫代异氰酸酯(40046-30-8)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%

3,5-二甲基苯基硫代异氰酸酯(40046-30-8)推荐厂家更多厂家(32)

公司名称	手机号/电话	联系人	QQ	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
湖北信康医药化工有限公司	13476235517 13476235517	杨彩云	1438280055	询单
巨胜化学研究院	18064118002 027-59599240	陈盼	1400838822	询单
湖北信康药化有限公司化学研究所	18827031272 027-59308705	张欢	1438980011	询单
湖北鑫红利化工有限公司	15172537016 027-59503710	祝雨薇	1018283355	询单
湖北拓邦化工有限公司	15102763473 027-59106185	涂梦婷	1400868822/1248089955	询单
湖北永阔科技有限公司	18064098002 027-59223108	孙瑶	1248580055	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
天门恒昌化工有限公司	15102714773 027-59322316	雷经理	1178380033	询单
湖北巨胜科技有限公司	18871490354	王珊	1400848866	询单

3,5-二甲基苯基硫代异氰酸酯(40046-30-8)上下游

氯化硫代甲酸苯酯 3,5-二甲基苯胺硫光气

3,5-二甲基苯基硫代异氰酸酯(40046-30-8)相关文献

1. A metal-free and a solvent-free synthesis of thio-amides and amides: an efficient Friedel–Crafts arylation of isothiocyanates and isocyanates
Begur Vasanthkumar Varun,Ankush Sood,Kandikere Ramaiah Prabhu RSC Adv. 2014 4 60798

3,5-二甲基苯基硫代异氰酸酯(40046-30-8)参考资料

Reaxys RN：

6856812

Beilstein：

6856812

PubChem CID：

354333259

3,5-二甲基苯基硫代异氰酸酯(40046-30-8) MSDS

基础信息

Name:	3 5-Dimethylphenyl isothiocyanate 97% Material Safety Data Sheet
Synonym:
CAS:	40046-30-8

Section 1 - Chemical Product ? MSDS Name:3 5-Dimethylphenyl isothiocyanate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
40046-30-8	3,5-Dimethylphenyl isothiocyanate	97%	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# 40046-30-8: 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 - pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 140 - 142 deg C @15mmHg
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:
Molecular Formula: C9H9NS
Molecular Weight: 163.24

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, oxidizing agents, reducing agents, amines.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 40046-30-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,5-Dimethylphenyl 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# 40046-30-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 40046-30-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 40046-30-8 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A