4-硝基丁酸甲酯,CAS:13013-02-0

货号： SH-NF-096

CAS号： 13013-02-0

商品名称 4-硝基丁酸甲酯

英文名称： methyl 4-nitrobutanoate

纯度： 98%

分子式： C5H9NO4

外观性状： 黄色液体

4-硝基丁酸甲酯名称

[ 中文名 ]: 4-硝基丁酸甲酯

[ 英文名 ]: methyl 4-nitrobutanoate

[中文别名 ]: 甲基-4-硝基丁酸

[英文别名 ]: 4-nitrobutanoic acid methyl ester 

4-Nitrobutyric Acid Methyl Ester 

MFCD00007408 

EINECS 235-866-0 

Methyl 4-nitrobutyrate 

BUTYRIC ACID,4-NITRO-,METHYL ESTER 

Butanoic acid,4-nitro-,methyl ester 

methyl 4-nitro-1-butanoate

 4-硝基丁酸甲酯物理化学性质

[ 密度 ]: 1.155g/cm3

[ 沸点 ]: 238.5ºC at 760mmHg

[ 分子式 ]: C5H9NO4

[ 分子量 ]: 147.12900

[ 闪点 ]: 107.3ºC

[ 精确质量 ]: 147.05300

[ PSA ]: 72.12000

[ LogP ]: 0.73950

[ 外观性状 ]: 透明黄色至琥珀色液体

[ 蒸汽压 ]: 0.0422mmHg at 25°C

[ 折射率 ]: n20/D 1.438(lit.)

[ 储存条件 ]:

密闭于阴凉干燥环境中

[ 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：33.01

2、 摩尔体积（m3/mol）：127.3

3、 等张比容（90.2K）：314.3

4、 表面张力（3.0 dyne/cm）：37.1

5、 极化率（0.5 10 -24cm 3）：13.08

[ 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：4

4、 可旋转化学键数量：4

5、 拓扑分子极性表面积（TPSA）：69.4

6、 重原子数量：10

7、 表面电荷：0

8、 复杂度：128

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℃）：1.149

3. 相对蒸汽密度（g/mL,空气=1）：无可用

4. 熔点（ºC）：无可用

5. 沸点（ºC,常压）：106-110

6. 沸点（ºC,5.2kPa）：无可用

7. 折射率：1.438

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

 4-硝基丁酸甲酯MSDS

Name:Methyl 4-Nitrobutyrate Tech. 80% Material Safety Data SheetSynonym:4-Nitrobutyric Acid Methyl EsterCAS:13013-02-0Section 1 - Chemical Product MSDS Name:Methyl 4-Nitrobutyrate Tech. 80% Material Safety Data Sheet

Synonym:4-Nitrobutyric Acid Methyl Ester 

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#Chemical NamecontentEINECS#13013-02-0Methyl 4-Nitrobutyrate, Tech.80%235-866-0Hazard Symbols: None Listed. 

Risk Phrases: None Listed. 

Section 3 - HAZARDS IDENTIFICATION

EMERGENCY OVERVIEW 

The toxicological properties of this material have not been fully investigated. 

Potential Health Effects 

Eye: 

May cause eye irritation. May cause chemical conjunctivitis and corneal damage. 

Skin: 

May cause skin irritation. May cause cyanosis of the extremities. 

Ingestion: 

May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. 

Inhalation: 

May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation. 

Chronic: 

Effects may be delayed. 

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. 

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: 

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. Combustible liquid. 

Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. 

Runoff from fire control or dilution water may cause pollution. 

Extinguishing Media: 

In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. 

Section 6 - ACCIDENTAL RELEASE MEASURES

General Information: Use proper personal protective equipment as indicated in Section 8. 

Spills/Leaks: 

Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. 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. Use a spark-proof tool. Provide ventilation. 

Section 7 - HANDLING and STORAGE

Handling: 

Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. 

Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. 

Storage: 

Keep away from sources of ignition. Keep container closed when not in use. 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# 13013-02-0: 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 minimize contact with skin. 

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: clear amber 

Odor: Not available. 

pH: Not available. 

Vapor Pressure: Not available. 

Viscosity: Not available. 

Boiling Point: 106 - 110 deg C @ 9.00mmHg 

Freezing/Melting Point: Not available. 

Autoignition Temperature: Not available. 

Flash Point: 85 deg C ( 185.00 deg F) 

Explosion Limits, lower: Not available. 

Explosion Limits, upper: Not available. 

Decomposition Temperature: 

Solubility in water: 

Specific Gravity/Density: 1.1490g/cm3 

Molecular Formula: C5H9NO4 

Molecular Weight: 147.13 

Section 10 - STABILITY AND REACTIVITY

Chemical Stability: 

Stable under normal temperatures and pressures. 

Conditions to Avoid: 

Incompatible materials, ignition sources, excess heat, strong oxidants. 

Incompatibilities with Other Materials: 

Strong bases, oxidizing agents. 

Hazardous Decomposition Products: 

Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. 

Hazardous Polymerization: Has not been reported 

Section 11 - TOXICOLOGICAL INFORMATION

RTECS#: 

CAS# 13013-02-0: ET5950970 LD50/LC50: 

Not available. 

Carcinogenicity: 

Methyl 4-Nitrobutyrate, Tech. - 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 

Shipping Name: Not regulated. 

Hazard Class: 

UN Number: 

Packing Group: 

IMO 

Shipping Name: Not regulated. 

Hazard Class: 

UN Number: 

Packing Group: 

RID/ADR 

Shipping Name: Not regulated. 

Hazard Class: 

UN Number: 

Packing group: 

Section 15 - REGULATORY INFORMATION

European/International Regulations 

European Labeling in Accordance with EC Directives 

Hazard Symbols: Not available. 

Risk Phrases: 

Safety Phrases: 

S 24/25 Avoid contact with skin and eyes. 

WGK (Water Danger/Protection) 

CAS# 13013-02-0: No information available. 

Canada 

None of the chemicals in this product are listed on the DSL/NDSL list. 

CAS# 13013-02-0 is not listed on Canada's Ingredient Disclosure List. 

US FEDERAL 

TSCA 

CAS# 13013-02-0 is not listed on the TSCA inventory. 

It is for research and development use only. 

SECTION 16 - ADDITIONAL INFORMATION

N/A 

 4-硝基丁酸甲酯毒性和生态

4-硝基丁酸甲酯生态学数据:

该物质对环境可能有危害，对水体应给予特别注意。

CHEMICAL IDENTIFICATION

RTECS NUMBER :

ET5950970

CHEMICAL NAME :

Butyric acid, 4-nitro-, methyl ester

CAS REGISTRY NUMBER :

13013-02-0

BEILSTEIN REFERENCE NO. :

1766154

LAST UPDATED :

199612

DATA ITEMS CITED :

1

MOLECULAR FORMULA :

C5-H9-N-O4

MOLECULAR WEIGHT :

147.15

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 30,56,1967

 4-硝基丁酸甲酯安全信息

[ 个人防护装备 ]: Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)

[ 安全声明 (欧洲) ]: 23-24/25

[ RTECS号 ]: ET5950970

[ 海关编码 ]: 291590009

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