苯并噻唑-2-甲酸

苯并噻唑-2-甲酸 基本信息
CAS号 3622-04-6 分子式 C8H5NO2S
分子量 179.19600 精确质量  179.00400
PSA  78.43000 LogP  1.99450

基本信息 展开↓

CAS号:
3622-04-6
3D弹球模型:
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分子式:
C8H5NO2S
分子量:
179.19600
中文名称:
苯并噻唑-2-甲酸
英文名称:
Benzothiazole-2-Carboxylic Acid
中文别名:
苯并噻唑-2-甲酸;
1,3-苯并噻唑-2-甲酸;
2,6-Dichlorobenzoxazole;
2,5-Dichlorobenzooxazole;
Phosphine, 1,3-propanediylbis-;
Isobutyrohydrazide;
Isobutyryl hydrazide;
NSC 141139;
Propanoic acid, 2-methyl-, hydrazide;
2-methylpropanehydrazide;
Isobutyric acid hydrazide;
6-deoxyhexose;
Alpha L-Rhamnose;
alpha-6-Deoxy-L-mannose;
alpha-L-Mannomethylose;
alpha-L-Rhamnopyranose;
Alpha-L-Rhamnose;
6-deoxy-L-mannose;
R-874 phillips;
2-(octylsulfanyl)ethanol;
3,3'-(sulfanediyldimethanediyl)dinonan-2-ol;
2-(octylthio)ethanol;
NSC 263364;
Neo-erycinum;
PELS;
Propionic acid, 2'-ester with erythromycin, dodecyl sulfate salt;
Propionylerythromycin lauryl sulfate;
Prospiocine;
Roxomicina;
Stellamicina;
Sulfuric acid, monododecyl ester, compd. with erythromycin 2'-propionate (1:1);
UNII-XRJ2P631HP;
Erythromycin, 2'-propanoate, dodecyl sulfate (salt);
Erythromycin, 2'-propionate, monododecyl sulfate;
erythromycin estolate
英文别名:
Benzothiazole-2-Carboxylic Acid;
Benzo[d]thiazole-2-carboxylic acid;
1,3-benzothiazole-2-carboxylic acid;
Benzothiazole-2-carboxylic acid
精确分子量/精确质量:
179.00400
极性分子表面积/PSA:
78.43000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C8H5NO2S/c10-8(11)7-9-5-3-1-2-4-6(5)12-7/h1-4H,(H,10,11)

物化性质展开↓

密度:
1.508g/cm3
熔点:
148ºC
沸点:
378.5ºC at 760 mmHg
闪点:
182.7ºC
折射率:
1.731

安全信息展开↓

海关代码:
2934999090
危险类别码:
R22;R36/37/38
安全说明:
S26-S36/37/39
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 95-16-9

    苯并噻唑

  • +

  • 124-38-9

    二氧化碳

  • ~99%

  • 3622-04-6

    苯并噻唑-2-甲酸

  • 32137-76-1

    1,3-苯并噻唑-2-羧酸乙酯

  • ~80%

  • 3622-04-6

    苯并噻唑-2-甲酸

  • 120-75-2

    2-甲基苯并噻唑

  • ~14%

  • 3622-04-6

    苯并噻唑-2-甲酸

  • +

  • 311347-10-1

    N-(trans-4-methylcyclohexyl)benzothiazole-2-carboxamide

MSDS 展开↓

Name: 1 3-Benzothiazole-2-carboxylic acid 90+% Material Safety Data Sheet
Synonym: None Known
CAS: 3622-04-6
Section 1 - Chemical Product   MSDS Name:1 3-Benzothiazole-2-carboxylic acid 90+% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3622-04-6 1,3-Benzothiazole-2-carboxylic acid 90+% unlisted
Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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:
Treat symptomatically and supportively.

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# 3622-04-6: 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: Crystals
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 148 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: C8H5NO2S
Molecular Weight: 179.2

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3622-04-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,3-Benzothiazole-2-carboxylic acid - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful 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# 3622-04-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3622-04-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3622-04-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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%

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