1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate
기본 정보
- CAS
2449-05-0- 표준 SMILES
O=C(N=NC(=O)OCc1ccccc1)OCc1ccccc1- InChIKey
IRJKSAIGIYODAN-UHFFFAOYSA-N- 분자식
- C16H14N2O4
- 평균 분자량
- 298.29 g/mol
- 단동위원소 질량
- 298.09535693
이름 및 식별자
- 우선 이름
- 1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate
- IUPAC
- benzyl N-phenylmethoxycarbonyliminocarbamate
- 영어명
- Dibenzyl azodicarboxylate
- 분자식
- C16H14N2O4
- 분자량
- 298.29
이름 및 동의어
2449-05-0RefChem:4114061,2-Bis(phenylmethyl) 1,2-diazenedicarboxylateDibenzyl azodicarboxylatedibenzyl diazene-1,2-dicarboxylateDBADMFCD00016737Azodicarboxylic Acid Dibenzyl EsterDTXSID3044887952229-16-21,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) esterDibenzylazodicarboxylate
이름 더 보기
DZAD(E)-dibenzyl diazene-1,2-dicarboxylateDibenzyl azodicarboxMinocycline Impurity 49Dibenzy| azodicarbo×ylateBis(benzyloxycarbonyl)diazene
Diazenedicarboxylic Acid Bis(phenylmethyl) Ester; Azodi-Formic Acid Dibenzyl Ester ; Dibenzyl Azodicarboxylate; NSC 620564benzyl N-benzyloxycarbonyliminocarbamatephenylmethyl {[benzyloxycarbonyl]diazenyl}formatebenzyl N-phenylmethoxycarbonyliminocarbamatedibenzylazodicarboxylate,98%SCHEMBL602246SCHEMBL602247CHEMBL3182293
데이터베이스 식별자
- CAS
2449-05-0- PubChem CID
- 75557
- DTXSID
DTXSID3044887- ChEMBL
CHEMBL3182293- EC Number
- 219-508-0
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 77.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 350
물리화학적 성질
- 녹는점
- 43 · 43-47 °C (lit.)
- 끓는 점
- 439.72 °C · 439.72°C (rough estimate)
- 밀도
- 1.2028 · 1.2028 (rough estimate)
- 굴절률
- 1.624 · 1.6240 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 결정성 분말
- 색상
- 노란색에서 주황색으로
- BRN
- 2298734 · 2298734
- InChI
- InChI=1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2
- InChIKey
- IRJKSAIGIYODAN-ISLYRVAYSA-N
- SMILES
- N(C(OCC1=CC=CC=C1)=O)=NC(OCC1=CC=CC=C1)=O
- EPA
- Diazenedicarboxylic acid, bis(phenylmethyl) ester (2449-05-0)
화학적 성질
yellow to orange crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
1,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) ester 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)
Status: Active Update: 01-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21848
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3224
- HS 번호
- 29270000
- risk_code
- 36/37/38-11
- hazard_code
- Xi,F
- safety_code
- 26-37/39-16
- 기존화학 물질
- KE-09865
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
U.S. Production2020: 15,517 lb
Consumer UsesIntermediate
Industry UsesIntermediate
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
1,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) ester: ACTIVE
응용 분야
용도Dibenzyl azodicarboxylate is a reagent used in the synthesis of Minocycline-d6 (M344797). Minocycline-d6 is a labeled second generation tetracycline antibiotic. Antibacterial.
일반 설명Dibenzyl azodicarboxylate undergoes[4+2] cycloaddition reaction with glycal to yield 2-aminoglycosides.
상·하류 제품 정보
상류 원료
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