2-(乙胺基)-1,3,4-噻二唑

  • 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

2-(乙胺基)-1,3,4-噻二唑 基本信息

中文名称:
2-(乙胺基)-1,3,4-噻二唑 
中文别名:
2-(乙胺基)-1,3,4-噻二唑;
2-(乙氨基)-1,3,4-噻重氮 
英文名称:
1,3,4-Thiadiazol-2-amine,N-ethyl-
英文别名:
N-ethyl-1,3,4-thiadiazol-2-amine;
2-(Ethylamino)-1,3,4-thiadiazole;
2-Ethylamino-1,3,4-thiadiazol;
2-Ethylamino-1,4-thiadiazole;
2-(3-PHENYL-5-ISOXAZOLYL)PHENOL;
ethyl-[1,3,4]thiadiazol-2-yl-amine;
WLN: T5NN DSJ C2Z;
Aethyl-[1,3,4]thiadiazol-2-yl-amin 
CAS No.:
13275-68-8
分 子 式:
C4H7N3S
分 子 量:
129.19
精确分子量:
129.03600
PSA:
66.05000
InChI:
The Key: PINNQKFNRKECFX-UHFFFAOYSA-N
分子结构式:
SDS:
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2-(乙胺基)-1,3,4-噻二唑 物化性质

密度:
1.268g/cm3
沸点:
253.9ºC at 760mmHg
闪点:
107.3ºC
折射率:
1.608
蒸汽压:
0.254mmHg at 25°C
存储条件/存储方法:

密闭于阴凉干燥环境中

稳定性相关:

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

2-(乙胺基)-1,3,4-噻二唑 安全信息

海关代码:
2934999090

2-(乙胺基)-1,3,4-噻二唑 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI3900000
CHEMICAL NAME :
1,3,4-Thiadiazole, 2-ethylamino-
CAS REGISTRY NUMBER :
13275-68-8
BEILSTEIN REFERENCE NO. :
0110762
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C4-H7-N3-S
MOLECULAR WEIGHT :
129.20
WISWESSER LINE NOTATION :
T5NN DSJ CM2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CPCHAO Clinical Proceedings of the Children's Hospital of the District of Columbia. (Washington, DC) V.1-27, 1971. For publisher information, see CPNMAQ. Volume(issue)/page/year: 18,307,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JHMJAX Johns Hopkins Medical Journal. (Baltimore, MD) V.120-151, 1967-82. Discontinued. Volume(issue)/page/year: 130,95,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
795 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
150 mg/kg
SEX/DURATION :
female 10-11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
JHMJAX Johns Hopkins Medical Journal. (Baltimore, MD) V.120-151, 1967-82. Discontinued. Volume(issue)/page/year: 130,95,1972
生态数据:

该物质对环境可能有危害,对水体应给予特别注意。

2-(乙胺基)-1,3,4-噻二唑 MSDS

Name: 2-(Ethylamino)-1 3 4-Thiadiazole Material Safety Data Sheet
Synonym: None
CAS: 13275-68-8
Section 1 - Chemical Product   MSDS Name:2-(Ethylamino)-1 3 4-Thiadiazole Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13275-68-8 1,3,4-Thiadiazol-2-Amine, N-Ethyl- ca 100 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 13275-68-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 71.00 - 73.00 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: C4H7N3S
Molecular Weight: 129.19

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 13275-68-8: XI3900000 LD50/LC50:
Not available.
Carcinogenicity:
1,3,4-Thiadiazol-2-Amine, N-Ethyl- - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 13275-68-8: No information available.
Canada
CAS# 13275-68-8 is listed on Canada's NDSL List.
CAS# 13275-68-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13275-68-8 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2-(乙胺基)-1,3,4-噻二唑 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%

2-(乙胺基)-1,3,4-噻二唑 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:35.06

2   摩尔体积m3/mol):101.3

3   等张比容90.2K):277.4

4   表面张力3.0 dyne/cm):56.1

5   极化率0.5 10-24cm3):13.89

计算化学数据

1.疏水参数计算参考值(XlogP):1.1

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积66

7.重原子数量:8

8.表面电荷:0

9.复杂度:68.3

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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