- 中文别名：6-氨基屈
- 中文释义：7-胺基去乙酰氧基头胞烷酸;氨基屈;6-氨基屈
- 英文别名：chrysen-6-amine;
6-Amc;
Chrysen-6-ylamin;
Chrysen-6-ylamine;
6-Amino-chrysen;
chrysene-6-ylamine;
6-Chrysenamine;
6-AMINOCHRYSENE;
6-chrysenylamine;
Chrysenex;
Chrysonex - cas No.：2642-98-0
- 分子式：C18H13N
- 分子量：243.30
- 精确分子量：243.10500
- PSA：26.02000
- MDL：MFCD00003699
- InChI：InChI=1/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2
- 分子结构式：
物化性质
- 密度：
- 1.253g/cm3
- 熔点：
- 209-211 °C(lit.)
- 沸点：
- 501.2ºC at 760mmHg
- 闪点：
- 286.9ºC
- 折射率：
- 1.813
- 蒸汽压：
- 3.56E-10mmHg at 25°C
- 存储条件/存储方法：
密封储存，储存于阴凉、干燥的库房。
- 稳定性相关：
常温常压下稳定，避免与不相容材料接触。
6-氨基屈 安全信息
- 海关代码：
- 2921499090
- WGK_Germany：
- 3
德国有关水污染物质的分类清单 - 危险类别码：
- 22
- 安全说明：
- S45-S36/37/39-S26
- RTECS号：
- GC0500000
- 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。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
: - 危险标志：
- Xn: Harmful;
安全信息
- 密度：
- 1.253g/cm3
- 熔点：
- 209-211 °C(lit.)
- 沸点：
- 501.2ºC at 760mmHg
- 闪点：
- 286.9ºC
- 折射率：
- 1.813
- 蒸汽压：
- 3.56E-10mmHg at 25°C
- 存储条件/存储方法：
密封储存，储存于阴凉、干燥的库房。
- 稳定性相关：
- 常温常压下稳定，避免与不相容材料接触。
6-氨基屈 安全信息
- 海关代码：
- 2921499090
- WGK_Germany：
- 3
德国有关水污染物质的分类清单 - 危险类别码：
- 22
- 安全说明：
- S45-S36/37/39-S26
- RTECS号：
- GC0500000
- 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。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
: - 危险标志：
- Xn: Harmful;
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GC0500000
- CHEMICAL NAME :
- 6-Chrysenamine
- CAS REGISTRY NUMBER :
- 2642-98-0
- BEILSTEIN REFERENCE NO. :
- 2114213
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 14
- MOLECULAR FORMULA :
- C18-H13-N
- MOLECULAR WEIGHT :
- 243.32
- WISWESSER LINE NOTATION :
- L E6 B666J MZ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 9504 mg/kg/36D-C
- TOXIC EFFECTS :
- Cardiac - changes in heart weight Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1100 gm/kg/39W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
MUTATION DATA
- TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 50 mg/L
- REFERENCE :
- JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 13,531,1984
- 毒理学数据：
1、其他多剂量毒性：大鼠经口TDLo：9504mg/kg/36D-C；
2、慢性毒性/致癌性
小鼠经皮肤接触TDLo：1100mg/kg/39W-I；
3、 致突变性
微生物鼠伤寒沙门氏菌突变：2500μg/plate；
微生物鼠伤寒沙门氏菌突变：500μg/plate；
大肠杆菌DNA加和：25μmol/L；
枯草芽孢杆菌的DNA修复：60μg/disc；
人淋巴细胞的DNA加和：20mg/L；
大鼠肝的DNA合成：500μmol /L；
小鼠腹水瘤的DNA加和：25μmol /L；
仓鼠卵巢的基因突变：5mg/L；
仓鼠肾的形态转化：80μg/L；
仓鼠卵巢的DNA加和：2500μg/L；
仓鼠卵巢体细胞的突变：50mg/L；
MSDS
| Name: | 6-Aminochrysene 97% Material Safety Data Sheet |
| Synonym: | 6-Chrysenamin |
| CAS: | 2642-98-0 |
Synonym:6-Chrysenamin
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 2642-98-0 | 6-Aminochrysene | 97 | 220-149-7 |
Risk Phrases: 40
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Limited evidence of a carcinogenic effect.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. 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:
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# 2642-98-0: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Powder
Color: brown
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 209.00 - 211.50 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C18H13N
Molecular Weight: 243.0977
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:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2642-98-0: GC0500000 LD50/LC50:
Not available.
Carcinogenicity:
6-Aminochrysene - 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: XN
Risk Phrases:
R 40 Limited evidence of a carcinogenic effect.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
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# 2642-98-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2642-98-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2642-98-0 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
中国海关编码：2921499090
- 概述：
- 2921499090 其他芳香单胺及衍生物及它们的盐. 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:30.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
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:1
3.氢键受体数量:1
4.可旋转化学键数量:0
5.互变异构体数量:无
6.拓扑分子极性表面积26
7.重原子数量:19
8.表面电荷:0
9.复杂度:326
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