2,4-二氨基-5-苯基噻唑氢溴酸盐酸盐

  • 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
  • 表征图谱

2,4-二氨基-5-苯基噻唑氢溴酸盐酸盐 基本信息

中文名称:
2,4-二氨基-5-苯基噻唑氢溴酸盐酸盐 
中文别名:
2,4-二氨基-5-苯基噻唑氢溴酸盐酸盐;
5-苯基-2,4-噻唑二胺氢溴酸盐;
2,4-二氨基-5-苯基噻唑氢溴酸 
英文名称:
2,4-Thiazolediamine,5-phenyl-, hydrobromide (1:1)
英文别名:
Diamino-5-phenylthiazole Hydrobromide;
2,4-DIAMINO-5-PHENYLTHIAZOLE MONOHYDROBROMIDE 
CAS No.:
6020-54-8
分 子 式:
C9H9N3S.BrH
分 子 量:
272.16
精确分子量:
270.97800
PSA:
93.17000
EINECS:
227-874-8
InChI:
The Key: JFSDUFWHNHMSRU-UHFFFAOYSA-N
分子结构式:
SDS:
查看

2,4-二氨基-5-苯基噻唑氢溴酸盐酸盐 物化性质

熔点:
283ºC
沸点:
413.3ºC at 760 mmHg
闪点:
203.7ºC
存储条件/存储方法:

    避光,阴凉干燥处,密封保存

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):283

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.     溶解性:未确定

2,4-二氨基-5-苯基噻唑氢溴酸盐酸盐 安全信息

包装等级:
III
风险类别:
6.1(b)
海关代码:
2934100090
安全说明:
S24/25

2,4-二氨基-5-苯基噻唑氢溴酸盐酸盐 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ4125000
CHEMICAL NAME :
Thiazole, 2,4-diamino-5-phenyl-, monohydrobromide
CAS REGISTRY NUMBER :
6020-54-8
LAST UPDATED :
199709
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H9-N3-S.Br-H
MOLECULAR WEIGHT :
272.19
WISWESSER LINE NOTATION :
T5N CSJ BZ DR& EZ &EH

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 :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - mouse Lymphocyte
DOSE/DURATION :
686 mg/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 155,17,1985
毒理学数据:

1急性毒性:

大鼠静脉LD50100mg/kg,毒性作用的描述没有报告除此以外的其他致死剂量值。

2、致突变数据:

1.突变TEST系统:小鼠淋巴细胞:2143mg/L

2.哺乳动物体细胞突变TEST系统:小鼠淋巴细胞:686mg/L

 

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

2,4-二氨基-5-苯基噻唑氢溴酸盐酸盐 MSDS

Name: 2 4-Diamino-5-Phenylthiazole Monohydrobromide Material Safety Data Sheet
Synonym: None
CAS: 6020-54-8
Section 1 - Chemical Product   MSDS Name:2 4-Diamino-5-Phenylthiazole Monohydrobromide Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6020-54-8 2,4-Diamino-5-Phenylthiazole Monohydro ca 100 227-874-8
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# 6020-54-8: 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Decomposes
Freezing/Melting Point: 283 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 283 deg C
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H9N3S.HBr
Molecular Weight: 272.16

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, oxides of nitrogen, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 6020-54-8: XJ4125000 LD50/LC50:
Not available.
Carcinogenicity:
2,4-Diamino-5-Phenylthiazole Monohydrobromide - 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# 6020-54-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6020-54-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6020-54-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2,4-二氨基-5-苯基噻唑氢溴酸盐酸盐 海关数据

中国海关编码:2934100090

概述:
2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 增值税率:17.0%. 退税率:9.0%. 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:
2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

2,4-二氨基-5-苯基噻唑氢溴酸盐酸盐 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):无

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:1

5.互变异构体数量:5

6.拓扑分子极性表面积93.2

7.重原子数量:14

8.表面电荷:0

9.复杂度:170

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:2

2,4-二氨基-5-苯基噻唑氢溴酸盐酸盐 表征图谱

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