O-(2,4-dinitrophenyl)hydroxylamine

HCID 87140CAS 17508-17-7

기본 정보

표준 SMILES
NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
YLACRFYIUQZNIV-UHFFFAOYSA-N
분자식
C6H5N3O5
평균 분자량
199.12 g/mol
단동위원소 질량
199.02292026

개요

structure given in first source

이름 및 식별자

우선 이름
O-(2,4-dinitrophenyl)hydroxylamine
IUPAC
O-(2,4-dinitrophenyl)hydroxylamine
영어명
O-(2,4-dinitrophenyl)hydroxylamine
분자식
C6H5N3O5
분자량
199.12

이름 및 동의어

O-(2,4-Dinitrophenyl)hydroxylamine17508-17-72,4-Dinitrophenoxyamine2,4-Nitrophenoxyamine1-Aminooxy-2,4-dinitrobenzeneI1308NOV00NSC-148499DTXSID20169926RefChem:855089DTXCID4092417241-512-6Hydroxylamine, O-(2,4-dinitrophenyl)-
이름 더 보기
2,4-DinitrophenylhydroxylamineNSC 1484994-dinitrophenyl)hydroxylamine1-aMinooxy-2,4-dinitro-benzeneHydroxylaMine,O-(2,4-dinitrophenyl)-O-(2,4-Dinitrophenyl)hydroxylamine,98%TIANFUCHEM--17508-17-7---O-(2,4-dinitrophenyl)hydroxylamine
DNPAC6H5N3O5MFCD00075001O-(2,4-dinitro-phenyl)-hydroxylamineUNII-I1308NOV001-(aminooxy)-2,4-dinitrobenzene1-Aminooxy-2,4-dinitrobenzene; 2,4-Dinitrophenoxyamine; 2,4-Nitrophenoxyamine; DNPA; NSC 148499;EINECS 241-512-6

데이터베이스 식별자

CAS
17508-17-7
PubChem CID
87140
DTXSID
DTXSID20169926
UNII
I1308NOV00
EC Number
241-512-6
Nikkaji
J287.066E

물성

구조 계산 물성

XLogP
0.7
극성 표면적
127 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
1
무거운 원자 수
14

물리화학적 성질

녹는점
112.5 °C · 112.5°C
끓는 점
336.62 °C · 336.62°C (rough estimate)
밀도
1.6937 · 1.6937 (rough estimate)
굴절률
1.691 · 1.6910 (estimate)
저장 조건
2 · 2-8°C(protect from light)
용해도
DMSO(적게), 메탄올(약간)에 용해됨

화학적 성질

Light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.6%)

안전 데이터

tsca
No
HS 번호
29221990
risk_code
22-36/37/38
safety_code
26

화학 및 산업

응용 분야 · 1건

용도O-(2,4-Dinitrophenyl)hydroxylamine is a rapid active-site-directed inhibitor of D-amino acid oxidase; modification results in specific incorporation of an amine group into an accessible nucleophilic r esidue with concomitant release of 2,4-dinitrophenol.

제조 방법 · 1건

To a stirred solution of 13.3 gm (0.1 mole) of t-butyl JV-hydroxycar-bamate and 5.6 gm (0.1 mole) of potassium hydroxide in 200 ml of absolute ethanol is added 20.2 gm (0.1 mole) of 2,4-dinitrochlorobenzene. The resultant deep red solution is stirred at room temperature for 1 hr; then enough glacial acetic acid is added dropwise to produce a light yellow solution. The solution is poured into 1.5 liters of cold water. The yellow oil which separates is gradually converted to crystals. The solid -butyl JV-(2,4-dinitrophenoxy)carbamate is separated, dried, and recrystallized from an ethyl acetate-hexane mixture to afford 16.4 gm (53%), m.p. 74-75°C. To 15 ml of trifluoroacetic acid is added 4 gm (0.0133 mole) of the i-butyl J/V-(2,4-dinitrophenoxy)carbamate. After the evolution of carbon dioxide has subsided, the solution is poured into 100 ml of ice water. The resultant oily layer crystallizes on standing to afford 2.5 gm (95%), m.p. 112°C (from ethanol). Recently it was discovered that the alkylation of ethyl JV-hydroxy-carbamate under alkaline conditions, particularly in a DMF medium at 60°C in the presence of sodium bicarbonate, leads to the ultimate formation of O-alkylated hydroxylamines. On the other hand, at 80-85°C, the direct alkylation without the presence of a base ultimately leads to N-alkylhydrox-ylamines (see Table I) [59]. The reaction of ethylazidoformate with an alcohol, while perhaps haz­ardous, may have some merit (Eqs. 31-33). The overall yield, based on ethyl chloroformate, is said to be on the order of 60%.

공급사50 곳

合肥翰刚医药科技有限公司+8618062405514 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

관련 반응

86건

연결된 노트

불러오는 중…