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2256-01-1

2256-01-1结构式
2256-01-1结构式

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中文名 2,4-二硝基苯腙异戊醛
英文名 N-(3-methylbutylideneamino)-2,4-dinitroaniline
中文别名 异戊醛-2,4-二硝基苯腙
异戊醛-DNPH
异戊醛2,4-二硝基苯腙
英文别名 (2,4-dinitrophenyl)hydrazone
Butanal,3-methyl-,2-(2,4-dinitrophenyl)hydrazone
Isovaleraldehyde 2,4-Dinitrophenylhydrazone
3-methylbutanal (2,4-dinitrophenyl)hydrazone
S0705
3-methyl-butanal
I0477
isovaleraldehyde 2,4-dinitrophenylhydrazone
Isovaleraldehyd-2,4-dinitrophenylhydrazon
Isovaleraldehyde-DNPH
密度 1.33g/cm3
沸点 406ºC at 760mmHg
熔点 122-124ºC(lit.)
分子式 C11H14N4O4
分子量 266.25300
闪点 199.3ºC
精确质量 266.10200
PSA 116.03000
LogP 4.06620
外观性状 固体;White to Yellow to Orange powder to crystal
蒸汽压 8.44E-07mmHg at 25°C
折射率 1.594
储存条件

0-6°C储存

分子结构

1、 摩尔折射率:67.74

2、 摩尔体积(m3/mol):199.6

3、 等张比容(90.2K):539.6

4、 表面张力(dyne/cm):53.3

5、 极化率(10 -24cm 3):26.85

计算化学

1、 疏水参数计算参考值(XlogP):2.1

2、 氢键供体数量:1

3、 氢键受体数量:6

4、 可旋转化学键数量:4

5、 互变异构体数量:

6、 拓扑分子极性表面积(TPSA):111

7、 重原子数量:19

8、 表面电荷:0

9、 复杂度:348

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:未确定

2. 密度(g/L,25ºC):未确定

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):122-124

5. 沸点(ºC,常压):未确定

6. 沸点(ºC 0.1mmHg):未确定

7. 折射率(nD20):未确定

8. 闪点(ºF):未确定

9. 比旋光度():未确定

10. 自燃点或引燃温度(ºC):未确定

11. 蒸气压(Pa,25ºC):未确定

12. 饱和蒸气压(kPa,20ºC):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


Section I.Chemical Product and Company Identification
Chemical NameIsovaleraldehyde 2,4-Dinitrophenylhydrazone
(1mg/ml as Aldehyde in Ethyl Acetate) [for Offensive Odors Analysis] (1ml*5)
Portland OR
SynonymNot available.
Chemical FormulaC11H14N4O4
CAS Number2256-01-1
141-78-6 (Ethyl Acetate)

Section II.Composition and Information on Ingredients
Toxicology Data
Chemical NameCAS Number Percent (%)TLV/PEL
Isovaleraldehyde 2,4-Dinitrophenylhydrazone0.11% Not available.(Ethyl Acetate)
2256-01-1
(1mg/ml as Aldehyde in Ethyl Acetate) [for Offensive Odors Analysis] (1ml*5)
141-78-6 (Ethyl 99.89% (EthylRat LD50 (oral) 5620 mg/kg
Acetate)Mouse LD50 (oral) 4100 mg/kg
Acetate)
Rabbit LD50 (oral) 5500 mg/kg
Rabbit LD50 (dermal) >20 mL/kg
Rat LC50 (inhalation) 200 gm/m3
Mouse LC50 (inhalation) 45 gm/m3

Section III. Hazards Identification
Acute Health EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
or, occasionally, blistering.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Chronic Health EffectsCARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.First Aid Measures
Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
minutes. Get medical attention.
Skin ContactIn case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
InhalationIf the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
toxic material was ingested; the absence of such signs, however, is not conclusive.

Section V. Fire and Explosion Data
427°C (800.6°F) (Ethyl Acetate)
Auto-Ignition
FlammabilityFlammable.
Flammable Limits
Flash PointsLOWER: 2.2% UPPER: 11.5% (Ethyl
-3°C (26.6°F). (Ethyl Acetate)
Acetate)
Combustion ProductsThese products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2).
Fire Hazards
Not available.
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards
Risks of explosion of the product in presence of static discharge: Not available.
Continued on Next Page
Isovaleraldehyde 2,4-Dinitrophenylhydrazone
(1mg/ml as Aldehyde in Ethyl Acetate) [for Offensive Odors Analysis] (1ml*5)
Fire Fighting Media
Flammable liquid.
SMALL FIRE: Use DRY chemical powder.
and Instructions
LARGE FIRE: Use alcohol foam, water spray or fog.
Consult with local fire authorities before attempting large scale fire-fighting operations.

Section VI.Accidental Release Measures
Spill CleanupFlammable material. Irritating material.
Keep away from heat. Mechanical exhaust required. Stop leak if without risk. Absorb with DRY earth, sand or other
Instructions
non-combustible material. DO NOT touch spilled material. Prevent entry into sewers, basements or confined areas; dike
if needed. Consult federal, state, and/or local authorities for assistance on disposal.

Section VII. Handling and Storage
Handling and StorageFLAMMABLE. IRRITANT. Keep away from heat. Mechanical exhaust required. Avoid excessive heat and light. Do not
breathe gas/fumes/ vapor/spray.
Information

Section VIII. Exposure Controls/Personal Protection
Engineering ControlsProvide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their
respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient;
Personal Protection
consult a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure LimitsNot available.

Section IX. Physical and Chemical Properties
Physical state @ 20°CLiquid.Solubility
(Ethyl Acetate)
One ml dissolves in 10ml water at 25°;
0.9 (water=1) (Ethyl Acetate)more soluble at lower and less soluble at
Specific Gravity
higher temps.
Miscible with alcohol, acetone, chloroform,
ether.
Molecular WeightPartition Coefficient
266.25Not available.
C4H8O2 =88.11 (Ethyl Acetate)
Boiling Point
76.5 to 77.5°C (169.7 to 171.5°F) (EthylVapor Pressure73 mmHg (@ 20°C) (Ethyl Acetate)
Acetate)
Melting Point-84°C (-119.2°F) (Ethyl Acetate)Vapor Density3.04 (Air = 1) (Ethyl Acetate)
1.372 (Ethyl Acetate)VolatilityNot available.
Refractive Index
Critical TemperatureOdorCharacteristic fruity odor (Ethyl Acetate)
Not available.
ViscosityNot available.TasteNot available.

Section X.Stability and Reactivity Data

This material is stable if stored under proper conditions. (See Section VII for instructions)
Stability
Conditions of Instability
Avoid excessive heat and light.
Incompatibilities
Reactive with strong oxidizing agents.

Section XI. Toxicological Information
RTECS NumberAH5425000 (Ethyl Acetate)
Routes of ExposureEye Contact. Ingestion. Inhalation.
(Ethyl Acetate)
Toxicity Data
Rat LD50 (oral) 5620 mg/kg
Mouse LD50 (oral) 4100 mg/kg
Rabbit LD50 (oral) 5500 mg/kg
Rabbit LD50 (dermal) >20 mL/kg
Rat LC50 (inhalation) 200 gm/m3
Mouse LC50 (inhalation) 45 gm/m3
Chronic Toxic EffectsCARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
Continued on Next Page
Isovaleraldehyde 2,4-Dinitrophenylhydrazone
(1mg/ml as Aldehyde in Ethyl Acetate) [for Offensive Odors Analysis] (1ml*5)
Acute Toxic EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
or, occasionally, blistering.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.

Section XII.Ecological Information
EcotoxicityNot available.
Environmental Fatesoluble at lowe
Ethyl acetate's production and use as a pharmaceutic aid, in artificial fruit essences, and as a solvent may result in its
release to the environment through various waste streams. If released to air, a vapor pressure of 93 mm Hg at 25 deg C
indicates ethyl acetate will exist solely as a vapor in the ambient atmosphere. Vapor-phase ethyl acetate will be degraded
in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is
estimated to be 9.4 days. If released to soil, ethyl acetate is expected to have high mobility based upon an estimated Koc
of 59. Volatilization from moist soil surfaces is expected to occur based upon a Henry's Law constant of 1.34X10-4 atm-cu
m/mole. Ethyl acetate's vapor pressure indicates the potential for volatilization from dry soil surfaces exists.
Biodegradation is expected to be an important process in both soil and water, based upon ethyl acetate's biodegradation
in aqueous screening studies. 93% biodegradation was observed in a complete mix continuous-flow activated sludge
system. 26.6 and 57.1% of ethyl acetate's theoretical BOD was reached in 5 days using the standard dilution method and
seawater dilution method, respectively. If released into water, ethyl acetate is not expected to adsorb to suspended solids
and sediment in water based on the estimated Koc. Volatilization from water surfaces is expected to be an important fate
process based on ethyl acetate's Henry's Law constant. Estimated volatilization half-lives for a model river and model lake
are 8.9 hours and 5.6 days, respectively. An estimated BCF of 3.2 suggests the potential for bioconcentration in aquatic
organisms is low. Ethyl acetate's hydrolysis half-life at 25 deg C and pH 7 is 2.0 years. Occupational exposure to ethyl
acetate may occur through inhalation and dermal contact with this compound at workplaces where ethyl acetate is
produced or used or where adhesives, thinners, degreasers, paints, inks, and dome reagents are used. The general
population may be exposed to ethyl acetate via inhalation of ambient air, ingestion of food and drinking water, or dermal
contact with consumer products containing this compound.

Section XIII. Disposal Considerations
Waste DisposalRecycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
DOT ClassificationDOT Class 9: Miscellaneous hazardous material
PIN Number
Proper Shipping Name
Chemical Kits
Packing Group (PG)III
DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
(Ethyl Acetate)
This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.
WHMIS ClassificationCLASS B-2: Flammable liquid with a flash point lower than 37.8°C (100°F).
(Canada)On DSL (Ethyl Acetate)
EINECS Number (EEC) 205-500-4 (Ethyl Acetate)
EEC Risk Statements
R10- Flammable.
R18- In use, may form flammable/explosive vapor-air mixture.
R36/37/38- Irritating to eyes, respiratory system and skin.
Japanese Regulatory Data
ENCS No. 2-726 (Ethyl Acetate)
Continued on Next Page
Isovaleraldehyde 2,4-Dinitrophenylhydrazone
(1mg/ml as Aldehyde in Ethyl Acetate) [for Offensive Odors Analysis] (1ml*5)


SECTION 16 - ADDITIONAL INFORMATION
N/A
符号 GHS02 GHS07
GHS02, GHS07
信号词 Danger
危害声明 H225-H302 + H332-H319
警示性声明 P210-P305 + P351 + P338
危害码 (欧洲) Xi,T,F
风险声明 (欧洲) 36/37/38-23/24/25-11-43
安全声明 (欧洲) 26-36-45-27-16-36/37
危险品运输编码 UN 1648 3/PG 2
WGK德国 3
危险类别 1.0
海关编码 2928000090

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海关编码 2928000090
中文概述 2928000090 其他肼(联氨)及胲(羟胺)的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。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
Summary 2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%