4-ニトロ-m-クレゾール

3-Methyl-4-nitrophenol

HCID 17412CAS 2581-34-2

基本情報

標準SMILES
Cc1cc(O)ccc1[N+](=O)[O-]
InChIKey
PIIZYNQECPTVEO-UHFFFAOYSA-N
分子式
C7H7NO3
平均分子量
153.14 g/mol
単同位体質量
153.04259308

概要

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.

名称と識別子

優先名称
3-Methyl-4-nitrophenol
IUPAC
3-methyl-4-nitrophenol
現地名
4-ニトロ-m-クレゾール
英語名
3-Methyl-4-nitrophenol
分子式
C7H7NO3
分子量
153.14

名称と別名

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
名称をさらに表示
4-ニトロ-m-クレゾール4-ニトロ-3-メチルフェノール3-メチル-4-ニトロフェノール4ニトロmクレゾ-ル4ニトロmクレゾル4-ニトロ-メタ-クレゾ?ル3‐メチル‐4‐ニトロフェノール標準品3-メチル-4-ニトロフェノール STANDARD3-メチル-4-ニトロフェノール Standard, 100 µg/mL in MeOH3-メチル-4-ニトロフェノール標準品-4-nitrophenoL3-methyl-4-nitro-phenoHA 01-01964-nitro-m-cresoNitrocresol,98%
NSC-69190DTXSID2062535CHEBI:38683RefChem:94775DTXCID2037398219-952-5MFCD000073334-Nitro-1-hydroxy-3-methylbenzene

データベース識別子

CAS
2581-34-2
PubChem CID
17412
DTXSID
DTXSID2062535
ChEBI
CHEBI:38683
UNII
2CC94832EU
EC Number
219-952-5
Nikkaji
J55.423E、J886.766F

物性

構造計算による物性

XLogP
2.5
極性表面積
66.1 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
0
重原子数
11

実験および物理化学的性質

Chemical Classes · 2 件

Nitrogen Compounds -> Nitrophenols

Industrial compound

SpringerMaterials PropertiesFusion temperature
Pesticides · 2 件

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]

物理化学的性質

融点
125 · 125-130 °C(lit.)
沸点
200 ℃ · 200℃(decomposition)
比重(密度)
1.2744 · 1.2744 (estimate)
屈折率
1.5744 · 1.5744 (estimate)
闪点
110 ℃ · 110℃
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性YELLOWISH TO BEIGE CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 2 件

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 · 1 件

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 · 2 件

Acute Tox. 4 (93.6%)

Self-reactive substances and mixtures - Type G

安全データ

wgk
3
tsca
TSCA listed
rtecs
GP2625000
ridadr
UN 2446 6.1/PG 3
hs_code
29089000
risk_code
20/21/22-36/37/38-22

化学と産業

用途と製造

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
応用分野 · 3 件

用途殺虫剤メチオニンの誘導体,農薬中間体

用途有機合成原料。

使用3-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.

調製方法

m-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.

サプライヤー50 社

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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]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

補足説明

定義ChEBI: A C-nitro compound in which the nitro group is attached at C-4 of m-cresol.

関連反応

50 件

関連ノート

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