三乙醇胺盐酸盐

三乙醇胺盐酸盐 基本信息
CAS号 637-39-8 分子式 C6H16ClNO3
分子量 185.64900 精确质量  185.08200
PSA  63.93000 LogP  -0.93270

基本信息 展开↓

CAS号:
637-39-8
3D弹球模型:
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分子式:
C6H16ClNO3
分子量:
185.64900
中文名称:
三乙醇胺盐酸盐
英文名称:
Triethanolamine hydrochloride
中文别名:
三乙醇胺盐酸盐;
2''-次氮基三乙醇盐酸盐;
盐酸三乙醇胺;
2,2',2''-三羟基三乙胺盐酸盐;
盐酸TEA盐;
三乙醇銨鹽酸;
三乙醇胺-HCl;
盐酸三乙醇胺(XZ)
英文别名:
Triethanolamine hydrochloride;
2-[bis(2-hydroxyethyl)amino]ethanol,hydrochloride
精确分子量/精确质量:
185.08200
极性分子表面积/PSA:
63.93000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00012596
EINECS:
211-284-2
PubChem:
24899972
BRN:
3909940
InChI:
InChI=1/C6H15NO3.ClH/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H

生产制备方法及用途展开↓

制备方法


测定锡和锑,软化剂,合成树脂。

用途简介


用途


测定锡和锑,软化剂,合成树脂。

 

物化性质展开↓

熔点:
177-179 °C(lit.)
沸点:
335.4ºC at 760 mmHg
闪点:
185ºC
存储条件/存储方法:

存放在密封容器内,并放在阴凉,干燥处。储存的地方必须远离氧化剂。避免湿气和水分。

稳定性相关:

远离氧化物,水源。

其它信息:

1.       性状:白色粉末。

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):77-179

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

安全信息展开↓

海关代码:
2922132020
WGK_Germany:
1
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S22-S24/25
RTECS号:
KL9346500
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi

合成路线查看所有的合成路线

  • 102-71-6

    三乙醇胺

  • ~97%

  • 637-39-8

    三乙醇胺盐酸盐

  • 541-41-3

    氯甲酸乙酯

  • 637-39-8

    三乙醇胺盐酸盐

化学图谱

  1. 三乙醇胺盐酸盐红外图谱(IR1)

  2. 三乙醇胺盐酸盐红外图谱(IR2)

  3. 三乙醇胺盐酸盐Raman光谱

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KL9346500
CHEMICAL NAME :
Ethanol, 2,2',2''-nitrilotris-, hydrochloride
CAS REGISTRY NUMBER :
637-39-8
LAST UPDATED :
199801
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C6-H15-N-O3.Cl-H
MOLECULAR WEIGHT :
185.68

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12285 mg/kg/2.2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Blood - lymphoma, including Hodgkin's disease Skin and Appendages - tumors
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 38,3918,1978
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
123 gm/kg/2.2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Blood - lymphoma, including Hodgkin's disease Skin and Appendages - tumors
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 38,3918,1978
毒理学数据:

 

生态数据:

对水稍微有危害的,不要让未稀释或者大量产品接触地下水,水道或者污水系统。若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: Ammonia Monitor Reagent Material Safety Data Sheet
Synonym: None
CAS: 637-39-8
Section 1 - Chemical Product   MSDS Name:Ammonia Monitor Reagent Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
637-39-8 Ethanol, 2,2',2''-nitrilotris-, hydroc 1.59 211-284-2
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause severe eye irritation. May result in corneal injury.
May cause painful sensitization to light. May cause conjunctivitis.
Skin:
May cause skin irritation. May cause photosensitive skin reactions in certain individuals.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Prolonged or repeated skin contact may cause dermatitis.

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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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. Not flammable, but reacts with most metals to form flammable hydrogen gas. Use water spray to keep fire-exposed containers cool.
Extinguishing Media:
Substance is nonflammable; use agent most appropriate to extinguish surrounding fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Large spills may be neutralized with dilute alkaline solutions of soda ash (sodium carbonate, Na2CO3), or lime (calcium oxide, CaO).
Clean up spills immediately, observing precautions in the Protective Equipment section. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
Keep away from heat and flame. Do not store in direct sunlight.
Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 637-39-8: CAS# 7732-18-5: 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: Liquid
Color: colorless
Odor: Not available.
pH: 1.6
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Miscible with water.
Specific Gravity/Density: 1.01 (Water=1)
Molecular Formula: Mixture
Molecular Weight:

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light.
Incompatibilities with Other Materials:
Acetate, acetic anhydride, alcohols + hydrogen cyanide, 2-aminoethanol, ammonium hydroxide, calcium carbide, calcium phosphide, cesium acetylene carbide, cesium carbide, chlorosulfonic acid, 1,1-difluoroethylene, ethylene diamine, ethyleneimine, fluorine, lithium silicide, magnesium boride, mercuric sulfate, oleum, perchloric acid, potassium permanganate, b-propiolactone, propylene oxide, rubidum acetylene carbide, rubidum carbide, silver perchlorate + carbon tetrachloride, sodium, sodium hydroxide, sulfuric acid, uranium phosphide, vinyl acetate. Substance polymerizes on contact with aldehydes or epoxides.
Hazardous Decomposition Products:
Hydrogen chloride, hydrogen gas.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 637-39-8: KL9346500 CAS# 7732-18-5: ZC0110000 LD50/LC50:
Not available.
CAS# 7732-18-5: Oral, rat: LD50 = >90 mL/kg.
Carcinogenicity:
Ethanol, 2,2',2''-nitrilotris-, hydrochloride - Not listed by ACGIH, IARC, or NTP.
Water - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Trout LC100=10 mg/L/24H Shrimp LC50=100-330 ppm Starfish LC50=100-330mg/L/48H Shore crab LC50=240 mg/L/48H Chronic plant toxicity=100 ppm

Section 13 - DISPOSAL CONSIDERATIONS
  Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

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:
WGK (Water Danger/Protection)
CAS# 637-39-8: 1
CAS# 7732-18-5: No information available.
Canada
CAS# 637-39-8 is listed on Canada's DSL List.
CAS# 7732-18-5 is listed on Canada's DSL List.
CAS# 637-39-8 is not listed on Canada's Ingredient Disclosure List.
CAS# 7732-18-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 637-39-8 is listed on the TSCA inventory.
CAS# 7732-18-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2922132020

概述:
2922132020 三乙醇胺盐酸盐。监管条件:23(两用物项和技术进口许可证,两用物项和技术出口许可证)。增值税率:17.0%。退税率:9.0%。最低关税:6.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件:
2.两用物项和技术进口许可证3.两用物项和技术出口许可证
摘要/Summary:
2922132020 2,2',2''-nitrilotriethanol hydrochloride。supervision conditions:23(import license for dual-use item and technologies,export license for dual-use item and technologies)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:38.17

2、   摩尔体积(m3/mol):127.3

3、   等张比容(90.2K):346.7

4、   表面张力(dyne/cm):54.9

5、   极化率10-24cm3):15.13

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:4

3.氢键受体数量:4

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积63.9

7.重原子数量:11

8.表面电荷:0

9.复杂度:55.7

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

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