5-Methoxy-2-nitrophenol

HCID 219635CAS 704-14-3

기본 정보

표준 SMILES: COc1ccc([N+](=O)[O-])c(O)c1
InChIKey: NRTULWPODYLFOJ-UHFFFAOYSA-N
분자식: C7H7NO4
평균 분자량: 169.13 g/mol
단동위원소 질량: 169.0375077

이름 및 식별자

우선 이름: 5-Methoxy-2-nitrophenol
IUPAC: 5-methoxy-2-nitrophenol
영어명: 5-Methoxy-2-nitrophenol
분자식: C7H7NO4
분자량: 169.13

이름 및 동의어

5-Methoxy-2-nitrophenol704-14-3DTXSID20277212RefChem:103032DTXCID70228370621-062-0InChI=1/C7H7NO4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1HPhenol, 5-methoxy-2-nitro-2-Hydroxy-4-methoxynitrobenzene2-Nitro-5-methoxyphenolMFCD001009325-methoxy-2-nitro-phenol

이름 더 보기

FR-2322NSC 1167TIMTEC-BB SBB0086095-METHOZY-2-NITROPHENOL5-methoxy-2-nitrophenolate

3-Methoxy-6-nitrophenolNSC-11673-Hydroxy-4-nitroanisoleNSC11672-Hydroxy-4-methoxynitrobenzene; 2-Nitro-5-methoxyphenol; 3-Methoxy-6-nitrophenol; NSC 1167TQ53BN6LHX2-hydroxy4-methoxynitrobenzeneSCHEMBL1852678

데이터베이스 식별자

CAS: 704-14-3
PubChem CID: 219635
DTXSID: DTXSID20277212
UNII: TQ53BN6LHX
EC Number: 621-062-0
Nikkaji: J246.510H

물성

구조 계산 물성

XLogP: 2
극성 표면적: 75.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 167

물리화학적 성질

녹는점: 92 · 92-94 °C(lit.)
끓는 점: 298.4 °C · 298.4°C (rough estimate)
밀도: 1.367 · 1.367
굴절률: 1.583 · 1.5830 (rough estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 6.95 · 6.95±0.13(Predicted)
물리적 상태: 분말 또는 결정
색상: 노란색

화학적 성질

yellow crystals or powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29095000
risk_code: 37/38-41-36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도5-Methoxy-2-nitrophenol is a reagent in the synthesis of conformationally constrained spirocycles, which are used as CCR1 antagonists. 5-Methoxy-2-nitrophenol is also used in the preparation of phenylsulfonyl aminophenoxybenzoates which can serve as EP1 receptor antagonists.