627-06-5 (丙基脲,Propylurea)

结构式:
CAS号:
627-06-5
中文名称:
丙基脲
英文名称:
Propylurea
分子式:
C4H10N2O
分子量:
102.135000705719
简介:
丙基脲是一种有机化合物,分子式为C4H10N2O。

丙基脲(627-06-5)名称与标识符

名称

中文别名:
丙基脲;丙脲;正丙基脲;N-丙基脲;
英文别名:
1-Propylurea;Propylurea;n-Propylurea;1-n-propylurea;EINECS 210-981-9;Propyl-harnstoff;propyl-urea;Urea,N-propyl;UREA,PROPYL;NS00035139;propyl urea;AKOS000200297;627-06-5;BRN 1743060;F71407;EN300-17480;MFCD00014793;NSC 73471;N'-propylurea;DTXSID2060830;A833940;n-propyl urea;Urea, N-propyl-;FT-0632644;Q27237068;CS-0207277;UREA, PROPYL-;Z56943581;NSC73471;NSC-73471;FS-4086;UNII-0PK51J4AV7;0PK51J4AV7;SCHEMBL23287;PROPYLUREA, N-;DB-054253;4-04-00-00482 (Beilstein Handbook Reference);STL575890;DTXCID4043488;

标识符

MDL:
MFCD00014793
InChIKey:
ZQZJKHIIQFPZCS-UHFFFAOYSA-N
Inchi:
1S/C4H10N2O/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
SMILES:
O=C(N)NCCC

丙基脲(627-06-5)物化性质

实验特性

  • LogP : 1.15590
  • PSA : 55.12000
  • 折射率 : 1.4386 (estimate)
  • 水溶性 : Soluble in water.
  • 沸点 : 158.1?°C at 760 mmHg
  • 熔点 : 107-109 ºC
  • 蒸气压 : 2.7±0.3 mmHg at 25°C
  • 闪点 : 49.4 ºC
  • 颜色与性状 : 白色晶状体粉末。
  • 溶解性 : 溶于水。
  • 密度 : 1.0739 (rough estimate)

计算特性

  • 精确分子量 : 102.07900
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 同位素质量 : 102.079313
  • 重原子数量 : 7
  • 复杂度 : 62.7
  • 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) : 无
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 55.1

丙基脲(627-06-5)国际标准相关数据

EINECS:
210-981-9

丙基脲(627-06-5)相关文献

丙基脲(627-06-5) MSDS

基础信息

Name:n-Propylurea 97% Material Safety Data Sheet
Synonym:
CAS:627-06-5
Section 1 - Chemical Product ? MSDS Name:n-Propylurea 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
627-06-5N-Propylurea97%210-981-9
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 627-06-5: 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: 107 - 109 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: C4H10N2O
Molecular Weight: 102

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Not available.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 627-06-5: YU1615500 LD50/LC50:
Not available.
Carcinogenicity:
N-Propylurea - 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
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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 627-06-5: No information available.
Canada
CAS# 627-06-5 is listed on Canada's NDSL List.
CAS# 627-06-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 627-06-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A