Pyridine, 2-methyl-4-nitro-, 1-oxide

HCID 95291CAS 5470-66-6

기본 정보

표준 SMILES: Cc1cc([N+](=O)[O-])cc[n+]1[O-]
InChIKey: FTTIAVRPJGCXAC-UHFFFAOYSA-N
분자식: C6H6N2O3
평균 분자량: 154.12 g/mol
단동위원소 질량: 154.03784205

이름 및 식별자

우선 이름: Pyridine, 2-methyl-4-nitro-, 1-oxide
IUPAC: 2-methyl-4-nitro-1-oxidopyridin-1-ium
영어명: 4-Nitro-2-picoline N-oxide
분자식: C6H6N2O3
분자량: 154.12

이름 및 동의어

5470-66-62-Methyl-4-nitropyridine N-oxide2-Methyl-4-nitropyridine 1-oxidePyridine, 2-methyl-4-nitro-, 1-oxideNSC 27962AI3-60232BRN 0135501DTXSID302031685-20-05-00503 (Beilstein Handbook Reference)RefChem:870632DTXCID30125659628-037-3

이름 더 보기

4-Nitro-2-picoL2-methyl-4-nitro-p4-Nitro-2-picoline N2-methyl 4-amino N-oxideMethyl-4-nitropyridine N-4-Nitro-a-picoline N-oxide2-Methyl-4-nitropyridine1-one2-Picoline, 4-nitro-, 1-oxide

InChI=1/C6H6N2O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H4-Nitro-2-picoline N-oxide2-Methyl-4-nitropyridine-N-oxide2-methyl-4-nitro-1-oxidopyridin-1-ium4-Nitro-2-picoline-N-oxide2-methyl-4-nitropyridin-1-ium-1-olateMFCD000146254HE74V4WGL

데이터베이스 식별자

CAS: 5470-66-6
PubChem CID: 95291
DTXSID: DTXSID30203168
ChEMBL: CHEMBL4569291
UNII: 4HE74V4WGL
EC Number: 628-037-3
Nikkaji: J85.708D

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 71.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 156

물리화학적 성질

녹는점: 155 · 155-159 °C(lit.)
끓는 점: 277.46 °C · 277.46°C (rough estimate)
밀도: 1.4564 · 1.4564 (rough estimate)
굴절률: 1.51 · 1.5100 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO및메탄올에 용해됨
산도 계수 (pKa): -1.18 · -1.18±0.10(Predicted)
물리적 상태: 가루
색상: 노란색에서 밝은 주황색까지
BRN: 135501 · 135501
InChI: InChI=1S/C6H6N2O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3
InChIKey: FTTIAVRPJGCXAC-UHFFFAOYSA-N
SMILES: C1(C)[N+]([O-])=CC=C([N+]([O-])=O)C=1
NIST: 4 · 4-Nitro-2-picoline-n-oxide(5470-66-6)

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (89.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (89.8%)

안전 데이터

wgk: 3
rtecs: UT5710000
ridadr: 2811
HS 번호: 29333990
risk_code: 20/21/22-36/37/38-40
hazard_code: Xn,Xi
safety_code: 22-26-36
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도A nitroheterocyclic compound and its potential suitability as radiosensitizer for cancer radiotherapy.

상·하류 제품 정보

상류 원료

2-Picoline-N-oxide

하류 제품

4-Acetamidopyridine-2-carboxylic acid 4-Bromopyridine-2-carboxylic acid 2-Methyl-4-nitropyridine 4-Aminopyridine-2-carboxylic acid 4-Hydroxy-2-methylpyridine 2-Methyl-4-acetamidopyridine 4-Hydroxypyridine-2-carboxylic acid 4-Amino-2-picoline 4-Bromo-2-methylpyridine 4-니트로피콜린알데히드 tert-Butyl 4-bromopyridin-2-ylcarbamate 4-Bromopyridine-2-carbaldehyde

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

연결된 노트

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