63-98-9 (苯乙酰脲,Benzeneacetamide,N-(aminocarbonyl)-)

CAS号:
63-98-9
中文名称:
苯乙酰脲
英文名称:
Benzeneacetamide,N-(aminocarbonyl)-
分子式:
C9H10N2O2
分子量:
178.187901973724

苯乙酰脲(63-98-9)名称与标识符

名称

中文别名:
苯乙酰脲;
英文别名:
Benzeneacetamide,N-(aminocarbonyl)-;N-carbamoyl-2-phenylacetamide;Phenylacetylurea;Acetylureum;Carbanmide;Cetylureum;Comitiadone;Fenacemide;Fenacetamide;Fenostenyl;N-(aminocarbonyl)-benzeneacetamide;Phenacemide;phenacetamide;Phenuron;Phenurone;Phenylacetyl-harnstoff;phenylacetyl-urea;Spectrum3_000679;Spectrum4_000473;BRD-K40905133-001-03-1;DB01121;63-98-9;Phenacetur;Phenacetylcarbamide;XPFRXWCVYUEORT-UHFFFAOYSA-N;(Phenylacetyl)urea;BRN 2048735;BSPBio_002377;HSDB 3380;Q3742404;NSC-757266;Eferon;Fenacemida (INN-Spanish);KBioSS_001403;KBio1_000320;SR-05000001694-1;NCGC00094754-05;Fenacemida;NSC39458;Felurea;DTXSID6023442;PHENACEMIDE [ORANGE BOOK];Fenacemide [DCIT];CCG-40237;alpha-Phenylacetylurea;NCGC00094754-01;Spectrum_000923;PHENACEMIDE [JAN];Phenacerum;SPBio_001177;NSC757266;Fenilep;PHENACEMIDE [MI];AB00052068_02;SBI-0051478.P003;Carbamide phenylacetate;Phenicarb;Fenacemid;Phenacemidum (INN-Latin);Fenural;PHENACEMIDE [MART.];KBioGR_000946;Phenacemide (JAN/INN);UNII-PAI7J52V09;1-[(C-hydroxycarbonimidoyl)imino]-2-phenylethan-1-ol;Neophedan;Phenacemidum;SR-05000001694;IDI1_000320;Fenylacetylmocovina [Czech];Epheron;Urea, (phenylacetyl)-;C07428;DivK1c_000320;Phenutal;N-(Phenylacetyl)urea #;PHENACEMIDE [WHO-DD];Phetylureum;KBio2_003971;NS00035612;4-09-00-01636 (Beilstein Handbook Reference);FT-0631283;Epiclase;Efron;PHENACEMIDE [HSDB];PAI7J52V09;Fenurone;N-(Phenylacetyl)urea;PHENACEMIDE [VANDF];NCGC00094754-03;Phenacemide (USP:INN:BAN);KBio3_001597;Phenarone;Phenacetylurea;Fenurea;Benzeneacetamide, N-(aminocarbonyl)-;Phenacemidum [INN-Latin];N-(Aminocarbonyl)benzeneacetamide;SCHEMBL35118;Tox21_111325_1;Phenurone (TN);PHENACEMIDE [INN];HMS500P22;Fenacemida [INN-Spanish];CHEBI:8049;NINDS_000320;D00504;Phacetur;SPECTRUM1500472;Spectrum5_001240;Phenacemide [USP:INN:BAN];Tox21_111325;.alpha.-Phenylacetylurea;KBio2_006539;BRD-K40905133-001-02-3;Spectrum2_001019;DTXCID103442;(2-phenylacetyl)urea;EINECS 200-570-2;Fenised;Fenacetil-karbamide;NSC-39458;N-(aminocarbonyl)-2-phenylacetamide;Phenacalum;Pharmakon1600-01500472;CAS-63-98-9;GTPL7265;Phenylacetyluree;Fenylacetylmocovina;NSC 39458;A-1348;HMS2091N16;WLN: ZVMV1R;NCGC00094754-02;Neophenal;Fenytan;PHENACEMIDE (MART.);EN300-7476381;KBio2_001403;1ST164431;Phenylacetyluree [French];CHEMBL918;Phenacereum;HMS1920F16;Phenyrit;AKOS009156469;DB-054589;BRD-K40905133-001-04-9;

标识符

MDL:
MFCD00007948
InChIKey:
XPFRXWCVYUEORT-UHFFFAOYSA-N
Inchi:
1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)
SMILES:
O=C(CC1C=CC=CC=1)NC(N)=O

苯乙酰脲(63-98-9)物化性质

实验特性

  • LogP : 1.51520
  • PSA : 72.19000
  • 折射率 : 1.5600 (estimate)
  • 沸点 : 310.41°C (rough estimate)
  • 熔点 : 214-216 °C
  • 颜色与性状 : 白色结晶或白色结晶性粉末。
  • 溶解性 : 溶于水和乙醇,不溶于乙醚和氯仿
  • 密度 : 1.2221 (rough estimate)

计算特性

  • 精确分子量 : 178.07400
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 4
  • 同位素质量 : 178.074
  • 重原子数量 : 13
  • 复杂度 : 198
  • 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 : 5
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 72.2A^2

苯乙酰脲(63-98-9)海关数据

海关编码:
29242998

苯乙酰脲(63-98-9)生产方法和用途

用途:
本品为有机合成中间体,用于合成抗结核药氨硫脲和磺胺药物,以及杀鼠剂,还可用作铬的定量及醛酮鉴定的分析试剂。此外,本品也用作农药中间体、橡胶助剂和合成树脂添加剂等。

苯乙酰脲(63-98-9)推荐厂家 更多厂家(3)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
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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
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上海阿拉丁生化科技股份有限公司 13167063860
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阿拉丁 3004013043
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苯乙酰脲(63-98-9)相关文献

苯乙酰脲(63-98-9) MSDS

基础信息

Name:Phenylacetylurea Material Safety Data Sheet
Synonym:Phenarone; Carbamide Phenylacetate; Cetylureum; Phenicarb
CAS:63-98-9
Section 1 - Chemical Product ? MSDS Name:Phenylacetylurea Material Safety Data Sheet
Synonym:Phenarone; Carbamide Phenylacetate; Cetylureum; Phenicarb

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
63-98-9Phenacemideca 100200-570-2
Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. May cause central nervous system depression. May be harmful if swallowed. Ingestion of very large amounts may cause generalized depression, headache, and drowsiness.
Inhalation:
May cause respiratory tract irritation. Exposure produces central nervous system depression.
Chronic:
Adverse reproductive effects have been reported in animals.

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.
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 extinguishing media appropriate to the surrounding fire. Substance is noncombustible.
Extinguishing Media:
Substance is noncombustible; use agent most appropriate to extinguish surrounding fire. Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not exceed 30C (86F).

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 63-98-9: 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 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: Crystalline powder
Color: white
Odor: practically odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 214.00 - 216.00 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: Slightly soluble.
Specific Gravity/Density:
Molecular Formula: C9H10N2O2
Molecular Weight: 178.19

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants, temperatures above 40C.
Incompatibilities with Other Materials:
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# 63-98-9: YU0875000 LD50/LC50:
CAS# 63-98-9: Oral, mouse: LD50 = 987 mg/kg; Oral, rabbit: LD50 = 2500 mg/kg; Oral, rat: LD50 = 1600 mg/kg.
Carcinogenicity:
Phenacemide - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 63-98-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 63-98-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 63-98-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A