2-Methyl-4-nitrophenol (HCID 7442)

이름 및 식별자

우선 이름: 2-Methyl-4-nitrophenol
IUPAC: 2-methyl-4-nitrophenol
현지명: 2-메틸-4-나이트로아니솔
영어명: 2-Methyl-4-nitrophenol
분자식: C7H7NO3
분자량: 153.14

이름 및 동의어

2-METHYL-4-NITROPHENOL99-53-64-Nitro-o-cresolPhenol, 2-methyl-4-nitro-2-Hydroxy-5-nitrotoluenep-Nitro-o-cresolo-Cresol, 4-nitro-4-Nitro-2-methylphenolNSC 1022EINECS 202-763-7UNII-105DL35HIBBRN 1365535

이름 더 보기

2-메틸-4-나이트로아니솔4-나이트로-o-크레솔4-나이트로-o-크레솔o-크레솔,4-나이트로-2-메틸-4나이트로아니솔o-크레솔,4-나이트로-2-메틸-4-니트로페놀2-METHYL-4-NITROPHENOL (4-NITRO-O-CRESOL)4-nitro-o-creso4-NITRO-2-CRESOL4-NITRO-0-CRESOL4-Nitro-o-cresol>2-METHYL-4-NITROPHEN4-Nitro-o-cresol (OH=1)

105DL35HIB1-hydroxy-2-methyl-4-nitrobenzeneNSC-1022DTXSID40738894-06-00-02011 (Beilstein Handbook Reference)RefChem:88138DTXCID0049107Phenol, 2-methyl-4-nitro-(9CI)

데이터베이스 식별자

CAS: 99-53-6
PubChem CID: 7442
DTXSID: DTXSID4073889
ChEMBL: CHEMBL107610
UNII: 105DL35HIB
EC Number: 202-763-7
Nikkaji: J67.717E

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 66.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 154

실험 및 물리화학적 성질

Kovats Retention Index · 2건

1588；1571

1644；1665

물리화학적 성질

녹는점: 93 · 93-98 °C(lit.)
끓는 점: 266.03 °C · 266.03°C (rough estimate)
밀도: 1.2744 · 1.2744 (estimate)
굴절률: 1.5744 · 1.5744 (estimate)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 7.43 · 7.43±0.22(Predicted)
색상: 회백색
InChI: InChI=1S/C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3
InChIKey: KDQPMQNHVQVVMR-UHFFFAOYSA-N
SMILES: C1(O)=CC=C([N+]([O-])=O)C=C1C
EPA: 2 · Phenol, 2-methyl-4-nitro- (99-53-6)

화학적 성질

white crystals

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

안전 데이터

wgk: 3
rtecs: GP2700000
ridadr: UN 2446 6.1/PG 3
독성: LD50 oral(mouse) 390 mg/kg
HS 번호: 2908990000
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 2건

용도2-Methyl-4-nitrophenol is suitable as a target compound in the study on measurement of methylnitrophenol concentrations and stable isotope ratios in the atmospheric particulate matter and as an internal standard in the determination of monoaromatic nitro compounds in atmospheric aerosols using high performance liquid chromatography electrospray tandem mass spectrometry (HPLC/ESI-MS/MS) method.It may be used as starting material in the synthesis of 2-bromo-4-nitro-6-methylphenol.

일반 설명2-Methyl-4-nitrophenol is a nitrophenol derivative. The study of its crystal structure reveals the molecule to be nearly planar. Its synthesis has been reported. FT-IR and FT-Raman spectra and molecular modeling of 2-methyl-4-nitrophenol have been analyzed. It is reported to be one of the compounds in diesel exhaust particles (DEP) that shows potential vasodilatation activity in rats. Its reduction catalyzed by porous carbon-encapsulated gold nanoparticles has been investigated.

제조 방법

2-methyl-4-nitrophenol is prepared by the reaction of 2-methyl-4-nitroaniline with sodium hydroxide and hydrochloric acid.

상·하류 제품 정보

상류 원료

하류 제품

4-아미노-2-메틸라니솔

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

济南春和景明医药技术有限公司0531-88566150 15275186862

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]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

연결된 노트

불러오는 중…

2-메틸-4-나이트로아니솔

기본 정보