68282-49-5 (2-丁基-1H-咪唑-4-甲醛,2-butyl-1H-imidazole-5-carbaldehyde)

快速询单

结构式：

2-丁基-1H-咪唑-4-甲醛MOL文件

CAS号：

68282-49-5

中文名称：

2-丁基-1H-咪唑-4-甲醛

英文名称：

2-butyl-1H-imidazole-5-carbaldehyde

安全信息：

分子式：

C₈H₁₂N₂O

分子量：

152.193681716919

2-丁基-1H-咪唑-4-甲醛(68282-49-5)名称与标识符

名称

中文别名：

2-丁基-1H-咪唑-4-甲醛;2-丁基-1H-咪唑-5-甲醛;2-Butyl-1H-imidazole-5-carboxaldehyde 2-丁基-1H-咪唑-5-甲醛;2-丁基-4-咪唑甲醛;2-正丁基-4-甲酰基咪唑;2-正丁基-5-甲酰基咪唑;2-丁基-咪唑-4-甲醛;2-丁基-5-甲酰基咪唑;

英文别名：

2-Butyl-1H-imidazole-4-carbaldehyde;2-Butyl-1H-imidazole-5-carboxaldehyde;2-butyl-1H-imidazole-5-carbaldehyde;2-butyl-4-imidazolyl formaldehyde;2-butylimidazole-4-aldehyde;2-BUTYLIMIDAZOLE-4-CARBOXALDEHYDE;2-Butyl-4-formylimidazole;2-Butyl-5-formylimidazole;2-Butyl-3H-imidazole-4-carboxaldehyde;1H-Imidazole-4-carboxaldehyde,2-butyl- (9CI);2-Butyl-1H-imidazole-4-carboxaldehyde;2-n-Butyl-4-formylimidazole;2-n-Butyl-4-imidazolecarboxaldehyde;2-n-Butyl-5-imidazolecarboxaldehyde;U12G73SQSX;1H-Imidazole-5-carboxaldehyde, 2-butyl-;1H-Imidazole-4-carboxaldehyde, 2-butyl-;1H-Imidazole-5-carboxaldehyde,2-butyl-;PubChem9444;2-butylimidazol-5-aldehyde;2-n-butyl-5-formylimidazole;B4064;2-butyl-1H-imidazole-4-carbaldehyde, AldrichCPR;A836077;MFCD01075030;PS-4369;SCHEMBL633213;CS-0206435;FT-0611631;2-Butyl-4-imidazolylformaldehyde;BP-10338;AC-8738;BCP12028;J-508570;2-n-butyl-1H-imidazole-4-carbaldehyde;68282-49-5;AKOS006223225;UNII-U12G73SQSX;Z2940229144;AT-419/43501262;AB42979;Q27290542;EN300-2088398;PTHGVOCFAZSNNA-UHFFFAOYSA-N;NS00036520;DTXSID50218431;2-Butyl-3H-imidazole-4-carbaldehyde;D86458;DB-015191;

标识符

MDL：

MFCD01075030

InChIKey：

PTHGVOCFAZSNNA-UHFFFAOYSA-N

Inchi：

1S/C8H12N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5-6H,2-4H2,1H3,(H,9,10)

SMILES：

O=CC1=CN=C(CCCC)N1

2-丁基-1H-咪唑-4-甲醛(68282-49-5)物化性质

实验特性

LogP : 1.56480
PSA : 45.75000
折射率 : 1.553
沸点 : 359.1 °C at 760 mmHg
熔点 : 116.0 to 120.0 deg-C
闪点 : 174.8 °C
颜色与性状 : 白色固体
密度 : 1.099

计算特性

精确分子量 : 152.09500
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 4
同位素质量 : 152.095
重原子数量 : 11
复杂度 : 127
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.6
拓扑分子极性表面积 : 45.8

2-丁基-1H-咪唑-4-甲醛(68282-49-5)安全信息

符号： GHS07
安全术语： S26;S37/39
安全说明： S26; S37/39
风险术语： R36/37/38
危险品标志： Xi
危害声明：H315-H319
警示性声明：P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
提示语：警告
危险类别码： R36/37/38

2-丁基-1H-咪唑-4-甲醛(68282-49-5)海关数据

海关编码：

2933290090

海关数据：

中国海关编码：

2933290090

概述：

2933290090. 其他结构含非稠合咪唑环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-丁基-1H-咪唑-4-甲醛(68282-49-5)推荐厂家更多厂家(23)

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金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
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江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
武汉华玖医药科技有限公司	15527230951 027-59220200	王妍	3317219330	询单

2-丁基-1H-咪唑-4-甲醛(68282-49-5)上下游

硒化钙 1H-Imidazole-4-carboxaldehyde, 5-bromo-2-butyl- 2-正丁基-5-氯-4-甲酰基咪唑 4-甲基-2-戊酮戊腈 2-丁基咪唑 2-丁基-4-羟甲基咪唑白金碳铋锭

2-丁基-1H-咪唑-4-甲醛(68282-49-5)参考资料

Reaxys RN：

8138480

Beilstein：

B152376

PubChem CID：

2735671

2-丁基-1H-咪唑-4-甲醛(68282-49-5) MSDS

基础信息

Name:	2-Butyl-1h-imidazole-4-carbaldehyde 97% Material Safety Data Sheet
Synonym:
CAS:	68282-49-5

Section 1 - Chemical Product ? MSDS Name:2-Butyl-1h-imidazole-4-carbaldehyde 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
68282-49-5	2-Butyl-1H-imidazole-4-carbaldehyde	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with 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.
Notes to Physician:
Treat symptomatically and supportively.

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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 68282-49-5: Personal Protective Equipment Eyes: Not available.
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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 117 - 120 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H12N2O
Molecular Weight: 152

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 68282-49-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Butyl-1H-imidazole-4-carbaldehyde - Not listed by ACGIH, IARC, or NTP.

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
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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 68282-49-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 68282-49-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 68282-49-5 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A