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111-52-4价格

111-52-4

111-52-4结构式
111-52-4结构式

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中文名 反-N,N,N',N'-四甲基-2-丁烯-1,4-二胺
英文名 n,n,n',n'-tetramethyl-2-butene-1,4-diamine
中文别名 反-N,N,N,N-四甲基-2-丁烯-1,4-二胺
N,N,N',N'-四甲基-2-丁烯-1,4-二胺
英文别名 (E)-N,N,N',N'-TETRAMETHYLBUT-2-ENE-1,4-DIAMINE (IUPAC)
tetra-N-methyl-but-2t-enediyldiamine
Tetra-N-methyl-but-2t-endiyldiamin
N,N,N',N'-tetramethyl-1,4-diamino-2-butene
N,N,N',N'-tetramethyl-1,3-phenylenediamine
trans-N,N,N',N'-Tetramethyl-2-butene-1,4-diamine
N,N,N',N'-Tetramethyl-m-phenylenediamine
MFCD00008336
(E)-N,N,N',N'-TETRAMETHYLBUT-2-ENE-1,4-DIAMINE
1,3-Benzenediamine,N,N,N',N'-tetramethyl
N,N,N',N'-Tetramethylbut-2t-en-1,4-diamin
EINECS 203-879-0
Tetra-N-methyl-m-phenylendiamin
tetra-N-methyl-m-phenylenediamine
N,N,N',N'-tetramethylbenzene-1,3-diamine
密度 0.82 g/mL at 25ºC(lit.)
沸点 172.4ºC at 760 mmHg
分子式 C8H18N2
分子量 142.24200
闪点 50.6ºC
精确质量 142.14700
PSA 6.48000
LogP 0.66580
外观性状 无色至黄色液体
蒸汽压 1.33mmHg at 25°C
折射率 n20/D 1.4416(lit.)
储存条件

常温,密封于阴凉通风处保存

稳定性

常温常压下稳定

避免强氧化剂,强酸

分子结构

1、摩尔折射率:46.61

2、摩尔体积(cm3/mol):168.7

3、等张比容(90.2K):389

4、表面张力(dyne/cm):28.2

5、介电常数:无可用的

6、极化率(10-24cm3):18.47

7、单一同位素质量:142.146999 Da

8、标称质量:142 Da

9、平均质量:142.2419 Da

计算化学

1.疏水参数计算参考值(XlogP):0.6

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积6.5

7.重原子数量:10

8.表面电荷:0

9.复杂度:83.4

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:1

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

更多

1. 性状:液体

2. 密度(g/mL,25℃):0.82

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):未确定

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,760mmHg:172-173

7. 折射率:n 20/D 1.4416(lit.)

8. 闪点(ºC):54

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(hPa,20ºC):未确定

12. 饱和蒸气压(kPa,26 ºC):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(MPa):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


Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
: trans-N,N,N′,N′-Tetramethyl-2-butene-1,4-diamine
Product name
CAS-No.: 111-52-4
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Flammable liquids (Category 3)
Skin corrosion (Category 1B)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Flammable. Causes burns.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
H226Flammable liquid and vapour.
H314Causes severe skin burns and eye damage.
Precautionary statement(s)
P280Wear protective gloves/ protective clothing/ eye protection/ face
protection.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P310Immediately call a POISON CENTER or doctor/ physician.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R10Flammable.
R34Causes burns.
S-phrase(s)
S16Keep away from sources of ignition - No smoking.
S26In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37/39Wear suitable protective clothing, gloves and eye/face protection.
S45In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula: C8H18N2
Molecular Weight: 142,24 g/mol
ComponentConcentration
(E)-N,N,N',N'-Tetramethylbut-2-ene-1,4-diamine
CAS-No.111-52-4-
EC-No.203-879-0

Section4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Consult a
physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
skin., Cough, Shortness of breath, Headache, Nausea
Indication of any immediate medical attention and special treatment needed
no data available

Section5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large
fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or
spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of
water.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
Reference to other sections
For disposal see section 13.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Store under inert gas.
Specific end uses
no data available

Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection
tested and approved under appropriate government standards such as NIOSH (US) or EN
166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type
of protective equipment must be selected according to the concentration and amount of the
dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) AppearanceForm: liquid
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingno data available
point
f) Initial boiling point and 172 - 173 °C at 964 hPa - lit.
boiling range
g) Flash point54,44 °C - closed cup
h) Evaporation rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative density0,82 g/cm3 at 25 °C
n) Water solubilityno data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

Section10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks.
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

Section11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationMay be harmful if inhaled. Material is extremely destructive to the tissue of
the mucous membranes and upper respiratory tract.
IngestionMay be harmful if swallowed. Causes burns.
SkinMay be harmful if absorbed through skin. Causes skin burns.
EyesCauses eye burns.
Signs and Symptoms of Exposure
Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
skin., Cough, Shortness of breath, Headache, Nausea
Additional Information
RTECS: Not available

Section12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

Section13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company. Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

Section14. TRANSPORT INFORMATION
UN number
ADR/RID: 2734IMDG: 2734IATA: 2734
UN proper shipping name
ADR/RID: AMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S. ((E)-N,N,N',N'-Tetramethylbut-2-ene-
1,4-diamine)
IMDG: AMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S. ((E)-N,N,N',N'-Tetramethylbut-2-ene-
1,4-diamine)
IATA:Amines, liquid, corrosive, flammable, n.o.s. ((E)-N,N,N',N'-Tetramethylbut-2-ene-1,4-diamine)
Transport hazard class(es)
ADR/RID: 8 (3)IMDG: 8 (3)IATA: 8 (3)
Packaging group
ADR/RID: IIIMDG: IIIATA: II
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

Section15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

Section16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.
符号 GHS02 GHS05
GHS02, GHS05
信号词 Danger
危害声明 H226-H314
警示性声明 P280-P305 + P351 + P338-P310
个人防护装备 Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
危害码 (欧洲) C: Corrosive;
风险声明 (欧洲) R10
安全声明 (欧洲) 16-26-36/37/39-45
危险品运输编码 UN 2734 8
WGK德国 3
危险类别 8.0

~%

111-52-4结构式

111-52-4

文献:Cromwell; Hassner Journal of the American Chemical Society, 1955 , vol. 77, p. 1568,1570 Full Text Show Details Amundsen et al. Journal of the American Chemical Society, 1951 , vol. 73, p. 2118,2119
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