CAS 119-33-5 4-Methyl-2-nitrophenol (HCID 8391)

名称と識別子

優先名称: 4-Methyl-2-nitrophenol
IUPAC: 4-methyl-2-nitrophenol
現地名: 2-ニトロ-p-クレゾール
英語名: 2-Nitro-p-cresol
分子式: C7H7NO3
分子量: 153.14

名称と別名

4-Methyl-2-nitrophenol119-33-52-NITRO-P-CRESOLPhenol, 4-methyl-2-nitro-2-Nitro-4-methylphenol4-Hydroxy-3-nitrotolueneo-Nitro-p-cresol2-Nitro-4-cresolp-Cresol, 2-nitro-DTXSID0026961P92KPK2NL3NSC-5387

名称をさらに表示

2-ニトロ-p-クレゾール4-ヒドロキシ-3-ニトロトルエン4-メチル-2-ニトロフェノール2-ニトロ-4-メチルフェノール4-メチル-2-ニトロフェノ-ル２ニトロｐクレゾル4‐メチル‐2‐ニトロフェノール-2-nitrophenoL2-nitro-p-cresoMethyl-2-nitrophe2-NITRO-PARA-CRESOL2-Nitro-p-cresol>

DTXCID606961RefChem:477155204-315-64-METHYL-2-NITRO-PHENOLMFCD0000712012167-20-3Phenol, methylnitro-68137-08-6

データベース識別子

CAS: 119-33-5、12167-20-3、68137-08-6
PubChem CID: 8391
DTXSID: DTXSID0026961
ChEMBL: CHEMBL1234658
UNII: P92KPK2NL3
EC Number: 204-315-6
Nikkaji: J36.829F

物性

構造計算による物性

XLogP: 2.4
極性表面積: 66.1 Å²
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
形式電荷: 0
複雑度: 154

実験および物理化学的性質

Vapor Pressure0.000632 [mmHg]

Physical DescriptionColorless solid; [EPA OHM/TADS] Yellow solid with a phenolic odor; mp = 32-35 deg C; [Alfa Aesar MSDS]

Kovats Retention Index · 2 件

1249.8；1236.4；1241.3；1250；1260

1914；1919；1919；1922

物理化学的性質

融点: 32 · 32-35 °C(lit.)
沸点: 234 °C · 234 °C
比重(密度): 1.24 g/mL · 1.24 g/mL at 25 °C(lit.)
屈折率: 1.5744 · 1.5744
闪点: 227 °F · 227 °F
貯蔵温度: -20 °C · -20°C Freezer
溶解性: わずかに溶ける
外見: 個体
酸解離定数(Pka): 7.45 · 7.45±0.14(Predicted)
比重: 1.24 · 1.24
水溶解度: わずかに溶ける
BRN: 1868022 · 1868022
Henry's Law Constant: 6.7 · 6.7×10-1 mol/(m3Pa) at 25℃, Tremp et al. (1993)
CAS データベース: 119 · 119-33-5(CAS DataBase Reference)
NISTの化学物質情報: 4 · Phenol, 4-methyl-2-nitro-(119-33-5)
EPAの化学物質情報: 2 · 2-Nitro-p-cresol (119-33-5)

化学的性質

化学的特性yellow to brownish low melting crystalline mass

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 7 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.

危険有害性情報

Regulatory Information · 3 件

Chemical: Phenol, 4-methyl-2-nitro-

Status: Active Update: 01-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20348

Phenol, 4-methyl-2-nitro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCorrosive to skin and mucous membranes: May cause kidney and liver injury; [EPA OHM/TADS] A skin and strong eye irritant; Harmful by skin absorption; [Alfa Aesar MSDS] See 2-Nitrophenol.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98.1%)

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.；Dermatotoxin - Skin burns.

法規制情報

Regulatory Information · 3 件

Chemical: Phenol, 4-methyl-2-nitro-

Status: Active Update: 01-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20348

Phenol, 4-methyl-2-nitro-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 2
tsca: TSCA listed
rtecs: GP2800000
ridadr: UN 2446 6.1/PG 3
hs_code: 29089990
risk_code: 36/37/38
化審法: (3)-790
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-45-28A
hazard_class: 6.1
packing_group: III

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

General Manufacturing InformationPhenol, 4-methyl-2-nitro-: ACTIVE

応用分野

使用Intermediate.

調製方法

p-Toluidine is diazotized and hydrolyzed to p-cresol, which in the presence of nitrous acid forms 2-nitroso-p-cresol; the latter is readily oxidized in situ to 2-Nitro-p-cresol by addition of aqueous nitric acid.

上流・下流製品情報

上流原料

p-トルイジン 2,6-ジニトロ-p-クレゾール (約20%水湿潤品)4-フルオロ-2-ニトロトルエン Phenol, 5-chloro-2-methyl-, acetate 2,5-Cyclohexadien-1-one, 4-methyl-4-nitro-5-クロロ-o-クレゾール 2-ブロモ-4-メチル-6-ニトロフェノール

下流製品

2-アミノ-p-クレゾール 4-エトキシ-3-ニトロトルエン N-イソプロピルアミドチオりん酸O-メチルO-(4-メチル-2-ニトロフェニル)トリニトロメタン β-メチルレブリン酸 5-メチルベンゾ[D]オキサゾール-2-チオール 4-メトキシ-3-ニトロトルエン 2,6-ジメチル-2H-1,4-ベンゾオキサジン-3(4H)-オン 2,5-ジメチルベンゾオキサゾール

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化合物ノート

読み込み中…

2-ニトロ-p-クレゾール

基本情報