脱氢硫代对甲苯胺单磺酸

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学

脱氢硫代对甲苯胺单磺酸 基本信息

中文名称:
脱氢硫代对甲苯胺单磺酸 
中文别名:
脱氢硫代对甲苯胺单磺酸;
2-(4-氨基苯基)-6-甲基苯并噻唑-7-磺酸;
2-对氨基苯基-6-甲基苯噻唑单磺酸;
脱氢硫代对甲苯胺-单-磺酸 
英文名称:
7-Benzothiazolesulfonicacid, 2-(4-aminophenyl)-6-methyl-
英文别名:
2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid;
2-(4-aminophenyl)-6-methylbenzo[d]thiazole-7-sulfonic acid;
2-(p-aminophenyl)-6-methylbenzothiazole-7-sulfonic acid;
2-(4-Aminophenyl)-6-methylbenzothiazole-7-sulphonic acid;
2-(p-Aminophenyl)-6-methyl-7-benzothiazolesulfonic acid;
2-(4-amino-phenyl)-6-methyl-benzothiazole-7-sulfonic acid;
2-(4-Aminophenyl)-6-methyl-7-benzothiazole sulfonic acid;
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid;
2-(4-Aminophenyl)-6-methylbenzothiazole sulfonic acid;
p-(6-Methyl-7-sulfobenzothiazole)aniline;
Dehydrothio-p-toluidinesulfonic acid 
CAS No.:
130-17-6
分 子 式:
C14H12N2O3S2
分 子 量:
320.38
精确分子量:
320.02900
PSA:
129.90000
EINECS:
204-979-7
InChI:
InChI=1/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)
危险品标志:
HarmfulXn
风险术语:
R20/21/22;R36/37/38
安全术语:
S26;S36/37/39
分子结构式:
SDS:
查看

脱氢硫代对甲苯胺单磺酸 物化性质

外观与性状:
黄色粉末
密度:
1.505 g/cm3
熔点:
300 °C
水溶解性:
<0.1 g/100 mL at 22℃
折射率:
1.714
存储条件/存储方法:
库房通风低温干燥

脱氢硫代对甲苯胺单磺酸 安全信息

海关代码:
2934999090
危险类别码:
R20/21/22;R36/37/38
安全说明:
S26-S36/37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xn:Harmful;

脱氢硫代对甲苯胺单磺酸 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL6420000
CHEMICAL NAME :
7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-
CAS REGISTRY NUMBER :
130-17-6
BEILSTEIN REFERENCE NO. :
0313390
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C14-H12-N2-O3-S2
MOLECULAR WEIGHT :
320.40
WISWESSER LINE NOTATION :
T56 BN DSJ CR DZ& FSWQ G1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
178 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00718 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3920 No. of Facilities: 25 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 1450 (estimated)

脱氢硫代对甲苯胺单磺酸 MSDS

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

脱氢硫代对甲苯胺单磺酸 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
摘要/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 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):2.5

2.氢键供体数量:2

3.氢键受体数量:6

4.可旋转化学键数量:2

5.互变异构体数量:3

6.拓扑分子极性表面积130

7.重原子数量:21

8.表面电荷:0

9.复杂度:471

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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