2-Methoxy-5-nitrophenol (HCID 69471)

개요

2-Methoxy-5-nitrophenol is a member of 3-nitrophenols.

이름 및 식별자

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

이름 및 동의어

2-Methoxy-5-nitrophenol636-93-15-NitroguaiacolPhenol, 2-methoxy-5-nitro-3-Hydroxy-4-methoxynitrobenzene2-hydroxy-4-nitroanisoleEINECS 211-269-0E5T11I2JUBDTXSID1047021GUAIACOL, 5-NITRO-3-NITRO-6-METHOXYPHENOL4-NITRO-2-HYDROXYANISOLE

이름 더 보기

5-nitroguaiacolateNITROGUAIACOL(5-)Methoxy-5-nitrophe5-Nitroguaiacol>2-Methoxy-5-nitrophe2-METHOXY-5-NITROANILINE5-Nitro-2-Methoxy Phenol

RefChem:474463DTXCID9027021211-269-02-methoxy-5-nitro-phenolMFCD000155612-Methyloxy-5-nitrophenolghl.PD_Mitscher_leg0.1131CHEBI:81049

데이터베이스 식별자

CAS: 636-93-1
PubChem CID: 69471
DTXSID: DTXSID1047021
ChEBI: CHEBI:81049
UNII: E5T11I2JUB
EC Number: 211-269-0
Nikkaji: J60.116K

물성

구조 계산 물성

XLogP: 1.3
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

실험 및 물리화학적 성질

Chemical ClassesIndustrial compound

Collision Cross Section129.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0035790]

물리화학적 성질

녹는점: 103 · 103-107 °C (lit.)
끓는 점: 110 · 110-112 °C/1 mmHg (lit.)
밀도: 1.3375 · 1.3375 (estimate)
굴절률: 1.583 · 1.5830 (rough estimate)
인화점: 110 · 110-112°C/1mm
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 8.31 · 8.31±0.19(Predicted)
색상: 밝은 노란색에서 밝은 갈색까지
BRN: 2047074 · 2047074
InChI: InChI=1S/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3
InChIKey: KXKCTSZYNCDFFG-UHFFFAOYSA-N
SMILES: C1(O)=CC([N+]([O-])=O)=CC=C1OC

화학적 성질

Yellow to light brown powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (91.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information2-Methoxy-5-nitrophenol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (91.7%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29095090
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
포장분류: III
기존화학 물질: KE-05-0827
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Methoxy-5-nitrophenol is used in the synthesis of potent VEGF and tyrosine kinase inhibitors. Also used in the synthesis of GABA analogues and phosphodiesterase inhibitors such as rolipram.

일반 설명2-Methoxy-5-nitrophenol is the substitution photoproduct formed on irradiation of 2-chloro-4-nitroanisole at 25°C in aqueous NaOH.

상·하류 제품 정보

하류 제품

4,5-디메톡시-2-니트로톨루엔 2-플루오로-4-니트로페놀 2-(3-클로로프로폭시)-1-메톡시-4-니트로벤젠 4-NITROCATECHOL 1-METHOXY-4-NITRO-2-(2-PROPYNYLOXY)BENZENE 3-[2-(dimethylamino)ethoxy]-4-methoxybenzenamine SB 216641 HYDROCHLORIDE

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]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

上海亚兴生物医药科技有限公司021-58956006,021-58950017 15800617331 · [email protected]

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

연결된 노트

불러오는 중…

2-Methoxy-5-nitrophenol

기본 정보

개요