3-메틸-4-나이트로페놀
3-Methyl-4-nitrophenol
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
2581-34-2- 표준 SMILES
Cc1cc(O)ccc1[N+](=O)[O-]- InChIKey
PIIZYNQECPTVEO-UHFFFAOYSA-N- 분자식
- C7H7NO3
- 평균 분자량
- 153.14 g/mol
- 단동위원소 질량
- 153.04259308
개요
4-nitro-m-cresol is a C-nitro compound in which the nitro group is attached at C-4 of m-cresol. It is functionally related to a m-cresol.
이름 및 식별자
- 우선 이름
- 3-Methyl-4-nitrophenol
- IUPAC
- 3-methyl-4-nitrophenol
- 현지명
- 3-메틸-4-나이트로페놀
- 영어명
- 3-Methyl-4-nitrophenol
- 분자식
- C7H7NO3
- 분자량
- 153.14
이름 및 동의어
3-Methyl-4-nitrophenol2581-34-24-Nitro-m-cresol4-Nitro-3-cresol5-Hydroxy-2-nitrotoluene4-Nitro-3-methylphenol2-Nitro-5-hydroxytoluenePhenol, 3-methyl-4-nitro-4-Nitro-5-methylphenolm-Cresol, 4-nitro-P-NITRO-M-CRESOL2CC94832EU
이름 더 보기
3-메틸-4-나이트로페놀4-나이트로-3-크레솔4-나이트로-3-크레솔4-나이트로-m-크레솔4-나이트로-m-크레솔2-나이트로-5-하이드록시톨루엔4-나이트로-3-메틸페놀4-나이트로-m-크레졸5-하이드록시-2-나이트로톨루엔-4-nitrophenoL3-methyl-4-nitro-phenoHA 01-01964-nitro-m-cresoNitrocresol,98%
NSC-69190DTXSID2062535CHEBI:38683RefChem:94775DTXCID2037398219-952-5MFCD000073334-Nitro-1-hydroxy-3-methylbenzene
데이터베이스 식별자
- CAS
2581-34-2- PubChem CID
- 17412
- DTXSID
DTXSID2062535- ChEBI
CHEBI:38683- UNII
- 2CC94832EU
- EC Number
- 219-952-5
- Nikkaji
- J55.423E、J886.766F
물성
구조 계산 물성보충 중
- XLogP
- 2.5
- 극성 표면적
- 66.1 Ų
- 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
Chemical Classes
Nitrogen Compounds -> Nitrophenols
Industrial compound
SpringerMaterials PropertiesFusion temperature
Pesticides
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticide (Fenitrothion metabolite (3-Methyl-4-nitrophenol)) -> USDA PDB
Endocrine DisruptorsPotential endocrine disrupting compound
Vapor Pressure0.000632 [mmHg]
Physical DescriptionDark yellow powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 125 · 125-130 °C(lit.)
- 끓는 점
- 200 ℃ · 200℃(decomposition)
- 밀도
- 1.2744 · 1.2744 (estimate)
- 굴절률
- 1.5744 · 1.5744 (estimate)
- 인화점
- 110 ℃ · 110℃
- 저장 조건
- Sealed in dry,Room Temperature
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: Phenol, 3-methyl-4-nitro-
3-Methyl-4-nitrophenol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards Summary
Transient excretion of glucose to urine observed in 6-month oral study of rats at 1,500 ppm (no other adverse effects observed); A preliminary reproductive/developmental study of rats demonstrated decreased locomotor activity and thrombi in the kidney, heart, and lung in males at 300 mg/kg/day, but no evidence of reproductive or developmental toxicity; Mutagenic effects observed in vitro and in vivo; [OECD SIDS: 3-Methyl-4-nitrophenol - 1994] No adverse effects observed in mice orally administered 25 mg/kg during gestation; [Shepard's Catalog of Teratogenic Agents] An irritant that may cause serious eye injury; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Acute Tox. 4 (93.6%)
Self-reactive substances and mixtures - Type G
안전 데이터
화학 및 산업
용도 및 제조
UsesUsed as an intermediate for pesticides; [OECD SIDS: 3-Methyl-4-nitrophenol - 1994]
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationPhenol, 3-methyl-4-nitro-: INACTIVE
응용 분야
용도3-Methyl-4-nitrophenol is a biochemical used in the preparation of phosphorothioamidate analogues as antimalarial agents. 3-methyl-4-nitrophenol has anti-androgenic activity. PNMC significantly inhibits basal and hCG-stimulated testosterone production in rats.
제조 방법
생산 방법m-Cresol is nitrosated in isopropanol solution and the isolated 4-nitroso-m-cresol is treated with aqueous nitric acid to oxidize it to 3-Methyl-4-nitrophenol.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
50건
화합물 노트
불러오는 중…