1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate

DBAD · Dibenzyl diazene-1,2-dicarboxylate · DZAD · (E)-dibenzyl diazene-1,2-dicarboxylate · Dibenzyl azodicarbox · Minocycline Impurity 49 · Dibenzy| azodicarbo×ylate · DIBENZYL AZODICARBOXYLATE

https://huagongshe.com/ko/chemical/75557

1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate 분자 구조식

식별자 및 물리적 특성

CAS No.	2449-05-0
분자식	C16H14N2O4
평균 분자량	298.29 g/mol
단동위원소 질량	298.09535693 g/mol
SMILES	O=C(N=NC(=O)OCc1ccccc1)OCc1ccccc1
InChIKey	IRJKSAIGIYODAN-UHFFFAOYSA-N
PubChem CID	75557
ChEMBL	CHEMBL3182293
EC No.	219-508-0
DTXSID	DTXSID3044887

화학 및 물리적 성질

XLogP	3.9
극성 표면적	77.3
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	6
무거운 원자 수	22
형식 전하	0
복잡도	350
녹는점	43-47 °C (lit.)
끓는 점	439.72°C (rough estimate)
밀도	1.2028 (rough estimate)
굴절률	1.6240 (estimate)
인화점	>230 °F
저장 조건	2-8°C
물리적 상태	결정성 분말
색상	노란색에서 주황색으로
BRN	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

GHS 분류	WarningH315 (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.
규제 정보	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 Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	3224
관세 코드	29270000
위험 문구(R)	36/37/38-11
위험 표시	Xi,F
안전 문구(S)	26-37/39-16
기존화학 물질	KE-09865
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

Dibenzyl azodicarboxylate is a reagent used in the synthesis of Minocycline-d6 (M344797). Minocycline-d6 is a labeled second generation tetracycline antibiotic. Antibacterial.

일반 설명

Dibenzyl azodicarboxylate undergoes[4+2] cycloaddition reaction with glycal to yield 2-aminoglycosides.