2-Methoxy-4-methyl-5-nitropyridine

HCID 243169CAS 6635-90-1

기본 정보

표준 SMILES: COc1cc(C)c([N+](=O)[O-])cn1
InChIKey: DJNQRLCFAHKFLZ-UHFFFAOYSA-N
분자식: C7H8N2O3
평균 분자량: 168.15 g/mol
단동위원소 질량: 168.05349212

이름 및 식별자

우선 이름: 2-Methoxy-4-methyl-5-nitropyridine
IUPAC: 2-methoxy-4-methyl-5-nitropyridine
영어명: 2-METHOXY-5-NITRO-4-PICOLINE
분자식: C7H8N2O3
분자량: 168.15

이름 및 동의어

2-methoxy-4-methyl-5-nitropyridineDTXSID00287773RefChem:474392DTXCID80238920687-286-66635-90-12-Methoxy-5-nitro-4-picoline2-methoxy-4-methyl-5-nitro-pyridinePyridine, 2-methoxy-4-methyl-5-nitro-MFCD03095075NSC52457SCHEMBL1559236

이름 더 보기

6-methoxy-3-methyl-2-nitropyridine2-METHOXY-5-NITRO-4-ICOLINE2-Methoxy-5-nitro-4-picolin2-Metho×y-5-nitro-4-picoline2-Methoxy-5-nitro-4-methylprydine2-Methoxy-5-nitro-4-picoline ,99%2-Metoxy-4-Methyl-5-Nitropyridine

NSC-524572-Methoxy-4-methyl-5-nitropyridine, 97%NSC 52457BCP221582-METHOXY-5-NITRO-4-METHYLPYRIDINEA8952CS-W00301SBB065559

데이터베이스 식별자

CAS: 6635-90-1
PubChem CID: 243169
DTXSID: DTXSID00287773
EC Number: 687-286-6

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 67.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 169

물리화학적 성질

녹는점: 79 to · 79.0 to 83.0 °C
끓는 점: 280.3 · 280.3±35.0 °C(Predicted)
밀도: 1.247 · 1.247±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 0.02 · 0.02±0.18(Predicted)
물리적 상태: 고체
색상: 옅은 노란색에서 옅은 베이지까지
수용성: 물에 약간 용해됩니다.
InChI: 1S/C7H8N2O3/c1-5-3-7(12-2)8-4-6(5)9(10)11/h3-4H,1-2H3
InChIKey: DJNQRLCFAHKFLZ-UHFFFAOYSA-N
SMILES: COc1cc(C)c(cn1)[N+]([O-])=O

화학적 성질

Off-white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

안전 데이터

wgk: 3
HS 번호: 2933399990
risk_code: 36/37/38-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-37/39-39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Methoxy-4-methyl-5-nitropyridine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.