92-36-4 (2-(4-氨基苯基)-6-甲基苯并噻唑,Dehydrothio-p-toluidine)

快速询单

结构式：

2-(4-氨基苯基)-6-甲基苯并噻唑MOL文件

CAS号：

92-36-4

中文名称：

2-(4-氨基苯基)-6-甲基苯并噻唑

英文名称：

Dehydrothio-p-toluidine

分子式：

C₁₄H₁₂N₂S

分子量：

240.323481559753

简介：

Dehydrothio-p-toluidine (DHPT) 是染料生产中使用的化学中间体。Dehydrothio-p-toluidine 在急性和亚慢性情况下显示出吸入毒性。

2-(4-氨基苯基)-6-甲基苯并噻唑(92-36-4)名称与标识符

名称

中文别名：

2-(4-氨基苯基)-6-甲基苯并噻唑;2-(4-氨基苯基)-6-甲基苯并噻...;脱氢硫代对甲苯胺;2-对氨基苯基-6-甲基苯并噻唑;4-(6-甲基-2-苯并噻唑)苯胺;

英文别名：

2-(4-Aminophenyl)-6-methylbenzothiazole;4-(6-methyl-1,3-benzothiazol-2-yl)aniline;4-(6-Methyl-1,3-benzothiazol-2-yl)phenylamine;4-(6-Methylbenzothiazol-2-yl)-aniline;4-(6-Methyl-2-benzothiazolyl)benzeneaMine;Dehydrothio-p-toluidine;2-(p-Aminophenyl)-6-methylbenzothiazole;Benzenamine, 4-(6-methyl-2-benzothiazolyl)-;DHPT;4-(6-Methyl-2-benzothiazolyl)aniline;Dehydrothio-4-toluidine;4-(6-Methyl-benzothiazol-2-yl)-phenylamine;4-(6-Methylbenzothiazol-2-yl)phenylamine;4-(6-Methyl-2-benzothiazolyl)benzenamine;Benzothiazole, 2-(p-aminophenyl)-6-methyl-;p-(6-Methylbenzo;BIDD:GT0828;4-(6-Methylbenzothiazol-2-yl)aniline;cid_7087;BRN 0175967;NSC-57678;HMS2811I20;4-(6-methylbenzo[d]thiazol-2-yl)aniline;CCRIS 1394;NSC 15370;NSC15370;NCGC00165332-01;2-(4-aminophenyl)-6-methyl-benzothiazole;EINECS 202-150-4;4-(6-Methyl-2-benzethiazolyl)-benzeneamine;SMR000433812;SY104280;4-(6-METHYLBENZO(D)THIAZOL-2-YL)ANILINE;SR-01000416450-1;Z56922178;92-36-4;Q27264381;CBDivE_010782;4-27-00-05052 (Beilstein Handbook Reference);MS-0173;InChI=1/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H;2-[4-Aminophenyl]-6-methylbenzothiazole;4-(6-METHYL-2-BENZOTHIAZOLYL)-BENZENAMINE;DTXSID5024502;UNII-69UN466K3Z;VU0121570-4;4-(6-Methyl-2-benzothiazolyl)aniline, technical, >=98.0% (NT);F0243-0015;p-(6-Methylbenzothiazol-2-yl)aniline;HY-W040269;MFCD00005780;2-(4'-Aminophenyl)-6-methylbenzothiazole;4-(6-Methyl-1,3-benzothiazol-2-yl)phenylamine #;69UN466K3Z;2-(4-aminophenyl)-6-methyl benzothiazole;CS-W021009;Dehydrothiotoluidine;EC 202-150-4;NSC-15370;W-100291;2-(4-amino-phenyl)-6-methyl benzothiazole;BENZOTHIAZOLE, 1-(P-AMINOPHENYL)-5-METHYL-;Benzothiazole, 2-(4-aminophenyl)-6-methyl-;NSC57678;FT-0631447;EU-0069699;BB 0245168;AKOS000108518;SR-01000416450;EN300-17374;BDBM50129788;CHEMBL93109;NS00006502;MLS000769098;SCHEMBL492713;ALBB-025741;DB-004811;STK038114;AE-641/00784029;BBL001453;2-(p-aminophenyl)-6-methyl-Benzothiazole;

标识符

MDL：

MFCD00005780

InChIKey：

XRTJYEIMLZALBD-UHFFFAOYSA-N

Inchi：

1S/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3

SMILES：

S1C(C2C=CC(=CC=2)N)=NC2C=CC(C)=CC1=2

2-(4-氨基苯基)-6-甲基苯并噻唑(92-36-4)物化性质

实验特性

LogP : 4.43510
PSA : 67.15000
折射率 : 1.5700 (estimate)
水溶性 : <0.1 g/100 mL at 20 ºC
沸点 : 434 ºC
熔点 : 191-196 ºC
闪点 : 217.3 °C
颜色与性状 : 淡黄褐色的或淡橙色粉末溶液s 有一种紫罗兰色-蓝色荧光
密度 : 1.1769 (rough estimate)

计算特性

精确分子量 : 240.07200
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 240.072119
重原子数量 : 17
复杂度 : 263
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） : 3.9
互变异构体数量 : 3
表面电荷 : 0
拓扑分子极性表面积 : 67.2

2-(4-氨基苯基)-6-甲基苯并噻唑(92-36-4)安全信息

危险品标志： Xi
危害声明：H315-H319-H335
警示性声明：P261-P305+P351+P338
储存条件：保持在一个凉爽、干燥、黑暗的地方，在密封容器或缸中。远离不相容的材料、火源和未经训练的人。安全标签区域。保护容器/汽缸避免物理伤害。
信号词： Warning
HazardClass： IRRITANT

2-(4-氨基苯基)-6-甲基苯并噻唑(92-36-4)国际标准相关数据

EINECS：

15370

2-(4-氨基苯基)-6-甲基苯并噻唑(92-36-4)海关数据

海关编码：

2934999090

海关数据：

中国海关编码：

2934999090

概述：

2934999090. 其他杂环化合物. 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

Summary：

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(4-氨基苯基)-6-甲基苯并噻唑(92-36-4)生产方法和用途

用途：

是合成单磺酸、双磺酸及其他染料中间体。

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2-(4-氨基苯基)-6-甲基苯并噻唑(92-36-4) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 4-(6-Methyl-2-benzothiazolyl)benzeneamine
Synonyms:

Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: 4-(6-Methyl-2-benzothiazolyl)benzeneamine
CAS number: 92-36-4

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator
    Hand precaution:        Wear suitable gloves/gauntlets
    Skin protection:        Wear suitable protective clothing
    Eye protection:        Wear suitable eye protection
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed
    Boiling point:        No data
    No data
    Melting point:
    Flash point:        No data
    Density:        No data
    Molecular formula:        C14H12N2S
    Molecular weight:        240.3

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A