71605-72-6 (2,1,3-苯并噻二唑-5-甲醛,2,1,3-Benzothiadiazole-5-carbaldehyde)

快速询单

结构式：

2,1,3-苯并噻二唑-5-甲醛MOL文件

CAS号：

71605-72-6

中文名称：

2,1,3-苯并噻二唑-5-甲醛

英文名称：

2,1,3-Benzothiadiazole-5-carbaldehyde

分子式：

C₇H₄N₂OS

分子量：

164.184459686279

2,1,3-苯并噻二唑-5-甲醛(71605-72-6)名称与标识符

名称

中文别名：

2,1,3-苯并噻二唑-5-甲醛;2,1,3-苯并噻二唑-5-羧酸乙酯;2,6-二(2-羟乙基氨基)甲苯硫酸盐;

英文别名：

Benzo[c][1,2,5]thiadiazole-5-carbaldehyde;2,1,3-Benzothiadiazole-5-carbaldehyde;2,1,3-BENZOTHIADIAZOLE-5-CARBOXALDEHYDE;5-Formyl-2,1,3-benzothiadiazole;2,1,3-Benzothiadiazole-5-acetaldehyde;GEFIFDVQYCPLHC-UHFFFAOYSA-N;5-formylbenzo-2,1,3-thiadiazole;FCH919027;STK504845;VZ21930;OR23127;RP02364;benzo[1,2,5]thiadiazol-5-carbaldehy;AMY9194;Benzo[c][1 pound not2 pound not5]thiadiazole-5-carbaldehyde;benzo[1,2,5]thiadiazole-5-carbaldehyde;BCP31674;AC-26505;SCHEMBL1336598;FT-0608998;benzo[1,2,5]thiadiazole-5-carboxaldehyde;MFCD00457949;HA-0843;EN300-251422;Z1201620151;BP-10366;DTXSID90379959;2,1,3-benzothiadiazole-5-carbaldehyde, AldrichCPR;AKOS005072973;benzo[1,2,5]thiadiazol-5-carbaldehyde;J-519717;CS-W003937;A26182;F14642;SY023294;71605-72-6;DB-011259;ALBB-007840;

标识符

MDL：

MFCD00457949

InChIKey：

GEFIFDVQYCPLHC-UHFFFAOYSA-N

Inchi：

1S/C7H4N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-4H

SMILES：

S1N=C2C=CC(C=O)=CC2=N1

2,1,3-苯并噻二唑-5-甲醛(71605-72-6)物化性质

实验特性

LogP : 1.50380
PSA : 71.09000
折射率 : 1.753
沸点 : 291.9℃ at 760 mmHg
熔点 : 90-92 ºC
蒸气压 : 0.0±0.6 mmHg at 25°C
闪点 : 291.9 °C at 760 mmHg
颜色与性状 : No data avaiable
密度 : 1.477

计算特性

精确分子量 : 164.00400
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 1
同位素质量 : 164.004
重原子数量 : 11
复杂度 : 165
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） : 1.3
拓扑分子极性表面积 : 71.1

2,1,3-苯并噻二唑-5-甲醛(71605-72-6)安全信息

2,1,3-苯并噻二唑-5-甲醛(71605-72-6)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%

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2,1,3-苯并噻二唑-5-甲醛(71605-72-6) MSDS

基础信息

Name:	2 1 3-Benzothiadiazole-5-carbaldehyde 97% Material Safety Data Sheet
Synonym:
CAS:	71605-72-6

Section 1 - Chemical Product ? MSDS Name:2 1 3-Benzothiadiazole-5-carbaldehyde 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
71605-72-6	2,1,3-Benzothiadiazole-5-carbaldehyde	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Air sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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.
Store under an inert atmosphere.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 71605-72-6: 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: off-white
Odor: odorless - slight odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 93 - 95 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: C7H4N2OS
Molecular Weight: 164.19

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 71605-72-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,1,3-Benzothiadiazole-5-carbaldehyde - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 71605-72-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 71605-72-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 71605-72-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A