130-17-6 (脱氢硫代对甲苯胺单磺酸,2-(4-Aminophenyl)-6-methylbenzo[d]thiazole-7-sulfonic acid)

快速询单

结构式：

脱氢硫代对甲苯胺单磺酸MOL文件

CAS号：

130-17-6

中文名称：

脱氢硫代对甲苯胺单磺酸

英文名称：

2-(4-Aminophenyl)-6-methylbenzo[d]thiazole-7-sulfonic acid

分子式：

C₁₄H₁₂N₂O₃S₂

分子量：

320.386680603027

脱氢硫代对甲苯胺单磺酸(130-17-6)名称与标识符

名称

中文别名：

脱氢硫代对甲苯胺单磺酸;2-对氨基苯基-6-甲基苯噻唑单磺酸;2-(4-氨基苯基)-6-甲基苯并噻唑-7-磺酸;脱氢硫代对甲苯胺-单-磺酸;2-对氨基苯基-6-甲基苯并噻唑单磺酸;2-(4-氨基苯基)-6-甲基-7-苯并噻唑磺酸;

英文别名：

2-(4-Aminophenyl)-6-methylbenzo[d]thiazole-7-sulfonic acid;2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid;2-(4-Aminophenyl)-6-methylbenzothiazole-7-sulphonic acid;4-(6-Methylbenzothiazol-2-yl)-anilin sulfat;P-(6-METHYLBENZOTHIAZOLE)ANILINE MONOSULFONIC ACID;2-(4-Aminophenyl)-6-methyl-7-benzothiazole sulfonic acid;2-(4-Aminophenyl)-6-methylbenzothiazole;2-(4-amino-phenyl)-6-methyl-benzothiazole-7-sulfonic acid;2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid;2-(p-Aminophenyl)-6-methyl-7-benzothiazolesulfonic acid;2-(p-aminophenyl)-6-methylbenzothiazole-7-sulfonic acid;7-Benzothiazolesulfonicacid, 2-(p-aminophenyl)-6-methyl- (8CI);2-(4'-Aminophenyl)-6-methylbenzothiazole-7-sulfonic acid;Dehydrothio-p-toluidinesulfonic acid;NSC 203387;NSC 44566;p-(6-Methyl-7-sulfobenzothiazole)aniline;dehydrothio-p-aminotoluenesulfonate;2-(4-aminophenyl)-6-methylbenzothiaz;Dehydrothio-4-Toluidine sulfonic Acid;DEHYDROTHIO-P-TOLUIDINE-3-SULFONIC ACID;DEHYDROTHIO-P-TOLUIDINE-3-MONOSULFONIC ACID;Dehydrothio-p-Toluidine-7-Sulfonic Acid, Dry;Dehydrothio-Para-Toluidine Mono Sulfonic Acid;2-(4-Aminophenyl)-6-methyl-7-benzothiazolesulfonicacid;CAS-130-17-6;2-(4-Aminophenyl)-6-methylbenzothiazole sulfonic acid;2-(4-Aminophenyl)-6-methylbenzthiazole-7-sulfonic acid;D.T.S.;DivK1c_001275;AKOS000668604;CS-0324586;DTXCID804501;130-17-6;CBDivE_003585;Maybridge1_002523;Dehydrothio-p-Toluidine sulfonic Acid;NCGC00260017-01;A806031;UNII-3ZPZ8EA7RK;HMS548K15;2-(4-Aminophenyl)-6-methylbenzo[d]thiazole-7-sulfonicacid;DTXSID0024501;NSC-44566;EC 204-979-7;Tox21_202468;FT-0608579;2-(4-AMINOPHENYL)-6-METHYLBENZOTHIAZOLESULFONIC ACID;EINECS 204-979-7;NCGC00091147-01;2-(4-Aminophenyl)-6-methylbenzothiazole-7-sulphonicacid;WLN: T56 BN DSJ CR DZ& FSWQ G1;CHEMBL1339340;CDS1_000235;W-108351;2-27-00-00492 (Beilstein Handbook Reference);NSC203387;CBDivE_008105;7-Benzothiazolesulfonic acid, 2-(4-aminophenyl)-6-methyl-;BDBM50443527;7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-;7-Benzothiazolesulfonic acid, 2-(4-aminophenyl)-6-methyl- (9CI);2-(4-Aminophenyl)-6-methyl-7-benzothiazolesulfonic acid;NS00009901;BRN 0313390;KGZUHYIHYBDNLC-UHFFFAOYSA-N;NCGC00091147-02;NSC-203387;AMINOPHENYL)-6-METHYL-7-BENZOTHIAZOLE SULFONIC ACID, 2-(4-;2-(p-Aminophenyl)-6-methylbenzothiazolyl-7-sulfonic acid;SCHEMBL633557;MFCD00043906;3ZPZ8EA7RK;STK677099;2-(4-AMINOPHENYL)-6-METHYLBENZOTHIAZOLYL-7-SULFONIC ACID;2-(4-AMINOPHENYL)-6-METHYLBENZOTHIAZOLYL SULFONIC ACID;

标识符

MDL：

MFCD00043906

InChIKey：

KGZUHYIHYBDNLC-UHFFFAOYSA-N

Inchi：

1S/C14H12N2O3S2/c1-8-2-7-11-12(13(8)21(17,18)19)20-14(16-11)9-3-5-10(15)6-4-9/h2-7H,15H2,1H3,(H,17,18,19)

SMILES：

S(C1C(C)=CC=C2C=1SC(C1C=CC(=CC=1)N)=N2)(=O)(=O)O

脱氢硫代对甲苯胺单磺酸(130-17-6)物化性质

实验特性

LogP : 4.76260
PSA : 129.90000
折射率 : 1.7140 (estimate)
水溶性 : <0.1 g/100 mL at 22 ºC
沸点 : °Cat760mmHg
熔点 : >300 ºC
闪点 : °C
颜色与性状 : 黄色粉末
密度 : 1.3833 (rough estimate)

计算特性

精确分子量 : 320.02900
氢键供体数量 : 2
氢键受体数量 : 5
可旋转化学键数量 : 2
同位素质量 : 320.029
重原子数量 : 21
复杂度 : 471
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） : 2.5
互变异构体数量 : 3
表面电荷 : 0
拓扑分子极性表面积 : 130A^2

脱氢硫代对甲苯胺单磺酸(130-17-6)安全信息

安全术语： S26;S36/37/39
安全说明： S26-S36/37/39
风险术语： R20/21/22; R36/37/38
危险品标志： Xn
危害声明：Corrosive
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。
危险类别码： R20/21/22;R36/37/38

脱氢硫代对甲苯胺单磺酸(130-17-6)国际标准相关数据

EINECS：

204-979-7

脱氢硫代对甲苯胺单磺酸(130-17-6)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%

脱氢硫代对甲苯胺单磺酸(130-17-6)生产方法和用途

用途：

用作染料中间体

是合成纸用染料重要中间体。

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脱氢硫代对甲苯胺单磺酸(130-17-6) MSDS

基础信息

Name:	2-(4-Aminophenyl)-6-methyl-1 3-benzothiazole-7-sulfonic acid 97% Material Safety Data Sheet
Synonym:
CAS:	130-17-6

Section 1 - Chemical Product ? MSDS Name:2-(4-Aminophenyl)-6-methyl-1 3-benzothiazole-7-sulfonic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
130-17-6	2-(4-Aminophenyl)-6-methyl-1,3-benzoth	97%	204-979-7

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.
Potential Health Effects
Eye:
Causes eye irritation.
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 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:
Vacuum or sweep up material and place into a suitable disposal 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:
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# 130-17-6: 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: Solid
Color: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 deg C
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: C14H12N2O3S2
Molecular Weight: 320.39

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 130-17-6: DL6420000 LD50/LC50:
Not available.
Carcinogenicity:
2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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 SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
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# 130-17-6: 1
Canada
CAS# 130-17-6 is listed on Canada's DSL List.
CAS# 130-17-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 130-17-6 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A