기본 정보
- CAS
611-92-7- 표준 SMILES
CN(C(=O)N(C)c1ccccc1)c1ccccc1- InChIKey
ADCBKYIHQQCFHE-UHFFFAOYSA-N- 분자식
- C15H16N2O
- 평균 분자량
- 240.3 g/mol
- 단동위원소 질량
- 240.12626314
이름 및 식별자
- 우선 이름
- 1,3-Dimethyl-1,3-diphenylurea
- IUPAC
- 1,3-dimethyl-1,3-diphenylurea
- 영어명
- 1,3-Dimethyl-1,3-diphenylurea
- 분자식
- C15H16N2O
- 분자량
- 240.3
이름 및 동의어
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
이름 더 보기
ZentralinZentralit ICentralite llDimethyldiphenylurea
N,N'-Dimethyl carbanilideEN824LB0NYDIMETHYLCARBANILIDEUNII-EN824LB0NYEINECS 210-283-4NSC-59781BRN 2126077DTXSID3044964
데이터베이스 식별자
- CAS
611-92-7- PubChem CID
- 11917
- DTXSID
DTXSID3044964- ChEMBL
CHEMBL3827384- UNII
- EN824LB0NY
- EC Number
- 210-283-4
- Nikkaji
- J13.679D
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 23.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 242
실험 및 물리화학적 성질
SpringerMaterials PropertiesDiamagnetic susceptibility
Physical DescriptionCBI
물리화학적 성질
- 녹는점
- 120 · 120-122 °C(lit.)
- 끓는 점
- 383.02 °C · 383.02°C (rough estimate)
- 밀도
- 1.0611 · 1.0611 (rough estimate)
- 증기압
- 0.001 Pa · 0.001Pa at 25℃
- 굴절률
- 1.639 · 1.6390 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 디클로로메탄(약간 용해됨), DMSO(약간 용해됨), 메탄올(매우 약간)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 0.68 · 0.68±0.50(Predicted)
- 색상
- 흰색에서 연한 녹색
- 수용성
- 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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- FE0600000
- safety_code
- 22-24/25
화학 및 산업
용도 및 제조
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
응용 분야
용도Detection of Methyl Centralite (MC) as gunshot residues (GSR) has been developed.
개요1,3-Dimethyl-1,3-diphenylurea for Stabilizer and propellant, and production of intermediates of organic chemicals.
용도1,3-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].
제조 방법
1,3-Dimethyl-1,3-diphenylurea can be synthesized through the reaction of methylaniline and phosgene.
공급사83 곳
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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