7779-27-3 (1,3,5-三乙基六氢-S-三叠氮,1,3,5-Triazine,1,3,5-triethylhexahydro-)

CAS号:
7779-27-3
中文名称:
1,3,5-三乙基六氢-S-三叠氮
英文名称:
1,3,5-Triazine,1,3,5-triethylhexahydro-
分子式:
C9H21N3
分子量:
171.283141851425

1,3,5-三乙基六氢-S-三叠氮(7779-27-3)名称与标识符

名称

中文别名:
1,3,5-三乙基-六氢-1,3,5-三嗪;1,3,5-三乙基六氢-S-三吖嗪;1,3,5-三乙基六氢-S-三叠氮;
英文别名:
1,3,5-Triazine,1,3,5-triethylhexahydro-;1,3,5-triethyl-1,3,5-triazinane;1,3,5-Triazine,1,3,5-triethylhexahydro;1,3,5-triethyl-1,3,5-triazacyclohexane;1,3,5-triethylhexahydro-1,3,5-triazine;1,3,5-Triethylhexahydro-s-triazine;1,3,5-triethylhexahydrotriazine;hexahydro-1,3,5-triethyl-1,3,5-triazine;Hexahydro-1,3,5-triethyl-s-triazine;s-Triazine,1,3,5-triethylhexahydro;Triethyl-trimethylenetriamine;Vancide-TH;Hexahydro-1,5-triethyl-s-triazine;NSC-26771;s-Triazine,3,5-triethyl-;1,3,5-Triazine, 1,3,5-triethylhexahydro-;Tox21_301622;DTXSID1032511;TRIETHYLHEXAHYDRO-S-TRIAZINE, 1,3,5-;NSC 26771;NCGC00255144-01;BRN 0106840;1,5-Triethylhexahydro-1,3,5-triazine;Triethyltrimethylenetriamine;InChI=1/C9H21N3/c1-4-10-7-11(5-2)9-12(6-3)8-10/h4-9H2,1-3H;T5ADA431CF;s-Triazine, 1,3,5-triethylhexahydro-;CHEMBL3188974;1,5-Triazine, 1,3,5-triethylhexahydro-;1,3,5-Triethyl-1,3,5-triazinane #;DTXCID9012511;1,3,5-Triallylhexahydro-s-triazine;1,5-Triethylhexahydro-s-triazine;7779-27-3;Vancide TH;s-Triazine,3,5-triethylhexahydro-;NSC26771;4-26-00-00004 (Beilstein Handbook Reference);CAS-7779-27-3;FT-0690849;AI3-11120;1,3,5-Triethylhexahydro-sym-triazine;Q27289695;NS00005049;XYRTVIAPRQLSOW-UHFFFAOYSA-N;UNII-T5ADA431CF;AKOS015913568;WLN: T6N CN ENTJ A2 C2 E2;EINECS 231-924-4;s-Triazine, hexahydro-1,3,5-triethyl-;SCHEMBL407168;

标识符

InChIKey:
XYRTVIAPRQLSOW-UHFFFAOYSA-N
Inchi:
1S/C9H21N3/c1-4-10-7-11(5-2)9-12(6-3)8-10/h4-9H2,1-3H3
SMILES:
N1(CC)CN(CC)CN(CC)C1

1,3,5-三乙基六氢-S-三叠氮(7779-27-3)物化性质

实验特性

  • LogP : 0.65190
  • PSA : 9.72000
  • 折射率 : n20/D 1.4595(lit.)
  • 沸点 : 207-208 °C(lit.)
  • 闪点 : 158 °F
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 0.894 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 171.17400
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 同位素质量 : 171.174
  • 重原子数量 : 12
  • 复杂度 : 91.2
  • 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) : 1.5
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 9.7A^2

1,3,5-三乙基六氢-S-三叠氮(7779-27-3)安全信息

1,3,5-三乙基六氢-S-三叠氮(7779-27-3)国际标准相关数据

EINECS:
231-924-4

1,3,5-三乙基六氢-S-三叠氮(7779-27-3)海关数据

海关编码:
2933699090
海关数据:

中国海关编码:

2933699090

概述:

2933699090 其他结构上含非稠合三嗪环化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933699090 other compounds containing an unfused triazine ring (whether or not hydrogenated) in the structure。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%

1,3,5-三乙基六氢-S-三叠氮(7779-27-3) MSDS

基础信息

Name:1 3 5-Triethylhexahydro-S-Triazine 97% Material Safety Data Sheet
Synonym:None known
CAS:7779-27-3
Section 1 - Chemical Product ? MSDS Name:1 3 5-Triethylhexahydro-S-Triazine 97% Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
7779-27-3Hexahydro-1,3,5-Triethyl-S-Triazine97231-924-4
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately 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. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Water may be ineffective.
Material is lighter than water and a fire may be spread by the use of water. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Water may be ineffective. Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. 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:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. 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# 7779-27-3: 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: Liquid
Color: clear, colorless
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 207.0 - 208.0 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 158 deg F ( 70.00 deg C)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8940g/cm3
Molecular Formula: C9H21N3
Molecular Weight: 171.28

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 7779-27-3: XY9275000 LD50/LC50:
CAS# 7779-27-3: Draize test, rabbit, eye: 100 mg Severe; Oral, mouse: LD50 = 370 mg/kg; Oral, rat: LD50 = 316 mg/kg.
Carcinogenicity:
Hexahydro-1,3,5-Triethyl-S-Triazine - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
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# 7779-27-3: No information available.
Canada
CAS# 7779-27-3 is listed on Canada's DSL List.
CAS# 7779-27-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7779-27-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A