基本情報
- CAS
611-92-7- 標準SMILES
CN(C(=O)N(C)c1ccccc1)c1ccccc1- InChIKey
ADCBKYIHQQCFHE-UHFFFAOYSA-N- 分子式
- C15H16N2O
- 平均分子量
- 240.3 g/mol
- 単同位体質量
- 240.12626314
名称と識別子
- 優先名称
- 1,3-Dimethyl-1,3-diphenylurea
- IUPAC
- 1,3-dimethyl-1,3-diphenylurea
- 現地名
- N,N'-ジメチル-N,N'-ジフェニル尿素
- 英語名
- 1,3-Dimethyl-1,3-diphenylurea
- 分子式
- C15H16N2O
- 分子量
- 240.3
名称と別名
1,3-Dimethyl-1,3-diphenylurea611-92-7Centralite IIN,N'-Dimethyl-N,N'-diphenylureaMethyl centraliteCentralit IICentralite-2Urea, N,N'-dimethyl-N,N'-diphenyl-N,N'-DimethylcarbanilideCarbanilide, N,N'-dimethyl-Zentralit IINSC 59781
名称をさらに表示
N,N'-ジメチル-N,N'-ジフェニル尿素N,N'-ジフェニル-N,N'-ジメチル尿素セントラライトIIメチルセントラリトセントラライトメチル1,3-ジフェニル-1,3-ジメチル尿素1,3-ジメチル-1,3-ジフェニル尿素セントラリトIIセントラリトメチルN,N'-ジメチルカルバニリドZentralinZentralit ICentralite llDimethyldiphenylurea
N,N'-Dimethyl carbanilideEN824LB0NYDIMETHYLCARBANILIDEUNII-EN824LB0NYEINECS 210-283-4NSC-59781BRN 2126077DTXSID3044964
データベース識別子
- CAS
611-92-7- PubChem CID
- 11917
- DTXSID
DTXSID3044964- ChEMBL
CHEMBL3827384- UNII
- EN824LB0NY
- EC Number
- 210-283-4
- Nikkaji
- J13.679D
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 23.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 242
実験および物理化学的性質
SpringerMaterials PropertiesDiamagnetic susceptibility
Physical DescriptionCBI
物理化学的性質
- 融点
- 120 · 120-122 °C(lit.)
- 沸点
- 383.02 °C · 383.02°C (rough estimate)
- 比重(密度)
- 1.0611 · 1.0611 (rough estimate)
- 蒸気圧
- 0.001 Pa · 0.001Pa at 25℃
- 屈折率
- 1.639 · 1.6390 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Dichloromethane (Slightly), DMSO (Slightly), Methanol (Very Slightly)
- 外見
- Solid
- 酸解離定数(Pka)
- 0.68 · 0.68±0.50(Predicted)
- 色
- White to Pale Green
- 水溶解度
- 76.42 mg/L · 76.42mg/L at 20℃
- InChI
- InChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3
- InChIKey
- ADCBKYIHQQCFHE-UHFFFAOYSA-N
- SMILES
- N(C)(C1=CC=CC=C1)C(N(C)C1=CC=CC=C1)=O
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P301+P317, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Urea, N,N'-dimethyl-N,N'-diphenyl-
Urea, N,N'-dimethyl-N,N'-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Urea, N,N'-dimethyl-N,N'-diphenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 1,3-dimethyl-1,3-diphenylurea (EC: 210-283-4)
Hazard Classes and CategoriesAcute Tox. 3 (33.3%)
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- FE0600000
- safety_code
- 22-24/25
化学と産業
用途と製造
U.S. Production2023: <75,000 lb
Industry UsesOther
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Urea, N,N'-dimethyl-N,N'-diphenyl-: ACTIVE
応用分野
使用Detection of Methyl Centralite (MC) as gunshot residues (GSR) has been developed.
説明1,3-Dimethyl-1,3-diphenylurea for Stabilizer and propellant, and production of intermediates of organic chemicals.
使用1,3-Dimethyl-1,3-diphenylurea (methyl centralite) is a stabilizer in different types of ammunition. This compound is organic gunshot residue. It is the characteristic compound for which forensic analysts test determining if a person has discharged a firearm[1-2].
調製方法
製造方法1,3-Dimethyl-1,3-diphenylurea can be synthesized through the reaction of methylaniline and phosgene.
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