2978-11-2

2978-11-2结构式

常用中文名：N,N'-二异丙基-O-(4-硝基苯甲基)异脲[用于高效液相色谱标记]
常用英文名：4-Nitrobenzyl N,N'-diisopropylcarbamimidate
CAS号：2978-11-2
分子式：C₁₄H₂₁N₃O₃
分子量：279.335
相关类别：分析化学液相色谱 HPLC标记试剂
发布时间：2018-12-29 12:03:23
更新时间：2024-01-05 18:38:11

中文名	N,N'-二异丙基-O-(4-硝基苄基)异脲
英文名	(4-nitrophenyl)methyl N,N'-di(propan-2-yl)carbamimidate
中文别名	N,N'-二异丙基-O(4-硝基苄基)异脲对硝基苯酰基,N,N-二异丙基脲对硝基苯酰基 N,N-二异丙基-O-(4-硝基苄基)异脲 N,N'-二异丙基-O-(4-硝基苯甲基)异脲
英文别名	MFCD00042046 4-Nitrobenzyl 8 O-(4-Nitrobenzyl)-N,N'-diisopropylisourea EINECS 221-027-6 O-p-Nitrobenzyl-N,N'-diisopropylurea 1,3-Diisopropyl-2-(4-nitrobenzyl)isourea 4-Nitrobenzyl N,N'-diisopropylcarbamimidate Carbamimidic acid, N,N'-bis(1-methylethyl)-, (4-nitrophenyl)methyl ester N,N'-Diisopropyl-O-(4-nitrobenzyl)isourea NBDI O-p-Nitrobenzyl-N,N'-diisopropylisourea

密度	1.1±0.1 g/cm3
沸点	465.1±28.0 °C at 760 mmHg
熔点	37-40ºC
分子式	C₁₄H₂₁N₃O₃
分子量	279.335
闪点	235.1±24.0 °C
精确质量	279.158295
PSA	79.44000
LogP	3.58
外观性状	微浅黄色-红黄色晶体-粉末
蒸汽压	0.0±1.1 mmHg at 25°C
折射率	1.534
储存条件	密闭于2-8 ºC阴凉干燥环境中
稳定性	遵照规定使用和储存则不会分解。
分子结构	1、摩尔折射率：76.93 2、摩尔体积（m³/mol）：247.3 3、等张比容（90.2K）：614.1 4、表面张力（dyne/cm）：38.0 5、极化率（10^-24cm³）：30.49
计算化学	1、疏水参数计算参考值（XlogP）：2.9 2、氢键供体数量：1 3、氢键受体数量：5 4、可旋转化学键数量：6 5、拓扑分子极性表面积（TPSA）：76.8 6、重原子数量：20 7、表面电荷：0 8、复杂度：329 9、同位素原子数量：0 10、确定原子立构中心数量：0 11、不确定原子立构中心数量：0 12、确定化学键立构中心数量：0 13、不确定化学键立构中心数量：0 14、共价键单元数量：1
更多	1. 性状：无可用 2. 密度（g/mL,25/4℃）：无可用 3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）：37-40 5. 沸点（ºC,常压）：无可用 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：无可用 8. 闪点（ºC）：无可用 9. 比旋光度（º）：无可用 10. 自燃点或引燃温度（ºC）：无可用 11. 蒸气压（kPa,25ºC）：无可用 12. 饱和蒸气压（kPa,60ºC）：无可用 13. 燃烧热（KJ/mol）：无可用 14. 临界温度（ºC）：无可用 15. 临界压力（KPa）：无可用 16. 油水（辛醇/水）分配系数的对数值：无可用 17. 爆炸上限（%,V/V）：无可用 18. 爆炸下限（%,V/V）：无可用 19. 溶解性：无可用

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
: N,N′-Diisopropyl-O-(4-nitrobenzyl)isourea
Product name
CAS-No.: 2978-11-2
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]
Acute toxicity, Inhalation (Category 3)
Acute toxicity, Dermal (Category 3)
Acute toxicity, Oral (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Toxic by inhalation, in contact with skin and if swallowed.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
H301Toxic if swallowed.
H311Toxic in contact with skin.
H331Toxic if inhaled.
Precautionary statement(s)
P261Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P280Wear protective gloves/ protective clothing.
P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
P311Call a POISON CENTER or doctor/ physician.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R23/24/25Toxic by inhalation, in contact with skin and if swallowed.
S-phrase(s)
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
Synonyms: NBDI
1,3-Diisopropyl-2-(4-nitrobenzyl)isourea
O-(4-Nitrobenzyl)-N,N′-diisopropylisourea
Formula: C14H21N3O3
Molecular Weight: 279,33 g/mol
ComponentConcentration
1,3-Diisopropyl-2-(p-nitrobenzyl)isourea
CAS-No.2978-11-2-
EC-No.221-027-6

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
Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
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
Indication of any immediate medical attention and special treatment needed
no data available

Section5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
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
no data available

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate
ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
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
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Recommended storage temperature: 2 - 8 °C
Light sensitive. Store under inert gas. Moisture sensitive.
Specific end uses
no data available

Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
Personal protective equipment
Eye/face protection
Face shield and safety glasses 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, 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 particle
respirator type N99 (US) or type P2 (EN 143) 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: crystalline
Colour: yellow
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: 37 - 40 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
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 densityno data available
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
no data available
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
InhalationToxic if inhaled. May cause respiratory tract irritation.
IngestionToxic if swallowed.
SkinToxic if absorbed through skin. May cause skin irritation.
EyesMay cause eye irritation.
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
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

Section14. TRANSPORT INFORMATION
UN number
ADR/RID: 2811IMDG: 2811IATA: 2811
UN proper shipping name
ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (1,3-Diisopropyl-2-(p-nitrobenzyl)isourea)
IMDG: TOXIC SOLID, ORGANIC, N.O.S. (1,3-Diisopropyl-2-(p-nitrobenzyl)isourea)
IATA:Toxic solid, organic, n.o.s. (1,3-Diisopropyl-2-(p-nitrobenzyl)isourea)
Transport hazard class(es)
ADR/RID: 6.1IMDG: 6.1IATA: 6.1
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.

生态学数据:

该物质对环境可能有危害，对水体应给予特别注意。

符号	GHS06
信号词	Danger
危害声明	H301-H311-H331
警示性声明	P261-P280-P301 + P310-P311
个人防护装备	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
危害码 (欧洲)	T: Toxic;
风险声明 (欧洲)	R23/24/25
安全声明 (欧洲)	36/37/39-45
危险品运输编码	UN 2811 6.1/PG 2
WGK德国	3
包装等级	III
危险类别	6.1(b)

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