2,3-Dimethyl-4-nitropyridine-N-oxide (HCID 148223)

이름 및 식별자

우선 이름: 2,3-Dimethyl-4-nitropyridine-N-oxide
IUPAC: 2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium
영어명: 4-Nitro-2,3-lutidine-N-oxide
분자식: C7H8N2O3
분자량: 168.15

이름 및 동의어

37699-43-72,3-Dimethyl-4-nitropyridine 1-oxide2,3-Dimethyl-4-nitropyridine N-Oxide2,3-Dimethyl-4-nitropyridine-N-oxidePyridine, 2,3-dimethyl-4-nitro-, 1-oxide4-Nitro-2,3-lutidine N-oxide2,3-dimethyl-4-nitropyridin-1-ium-1-olate2,3-dimethyl-4-nitro-1-oxidopyridin-1-iumBRN 1569438V7T97WM6BADTXSID50191134DIMETHYL-4-NITROPYRIDINE 1-OXIDE, 2,3-

이름 더 보기

4-NITRO-2,3-DIMETHYLPYRIDINE N-OXIDE4-Nitro-2,3-lutidineLansoprazole Impurit HLansoprazole Impurit 9ansoprazole Impurity 23Lansoprazole Impurity 374-Nitro Lutidine N-oxideLansoprazole Nitro Compound

RefChem:442494DTXCID60113625609-469-14-Nitro-2,3-lutidine-N-oxideLansoprazole Impurity 212,3-dimethyl-4-nitro-1-oxido-pyridin-1-iumMFCD00065172Lansoprazole Nitro Impurity

데이터베이스 식별자

CAS: 37699-43-7
PubChem CID: 148223
DTXSID: DTXSID50191134
UNII: V7T97WM6BA
EC Number: 609-469-1
Nikkaji: J66.597E

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 71.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 180

물리화학적 성질

녹는점: 94 · 94-98 °C (lit.)
끓는 점: 297.07 °C · 297.07°C (rough estimate)
밀도: 1.3722 · 1.3722 (rough estimate)
굴절률: 1.52 · 1.5200 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 분말 또는 결정성 분말
산도 계수 (pKa): -1.03 · -1.03±0.10(Predicted)
색상: 연한 노란색에서 노란색까지
BRN: 1569438 · 1569438
InChI: InChI=1S/C7H8N2O3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,1-2H3
InChIKey: CFMTVTYBZMKULI-UHFFFAOYSA-N
SMILES: C1(C)[N+]([O-])=CC=C([N+]([O-])=O)C=1C

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (14%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 11-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33360

Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (14%)

안전 데이터

wgk: 3
rtecs: UT2807000
ridadr: 2811
HS 번호: 29333990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36
포장분류: III
위험 등급: 6.1
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Nitropyridine oxide derivative,Nitropyridine oxide derivatives show carcinogenicity and mutagenicity.

일반 설명4-Nitro-2,3-lutidine N-oxide can undergo reduction in the presence of Titanium(III) chloride in 50% aqueous acetonitrile. N-hydroxylamine is formed as a by-product during the reduction reaction.