4-(ジメチルアミノ)フェノール

4-(Dimethylamino)phenol

HCID 22174

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 619-60-3
標準SMILES: CN(C)c1ccc(O)cc1
InChIKey: JVVRCYWZTJLJSG-UHFFFAOYSA-N
分子式: C8H11NO
平均分子量: 137.18 g/mol
単同位体質量: 137.08406397

名称と識別子

優先名称: 4-(Dimethylamino)phenol
IUPAC: 4-(dimethylamino)phenol
現地名: 4-(ジメチルアミノ)フェノール
英語名: 4-(dimethylamino)phenol
分子式: C8H11NO
分子量: 137.18

名称と別名

4-(Dimethylamino)phenol619-60-34-DimethylaminophenolPhenol, 4-(dimethylamino)-N,N-Dimethyl-4-aminophenolDMAP (antidote)N,N-Dimethyl-p-hydroxyanilinePhenol, p-(dimethylamino)-X387L5559ODTXSID70210932RefChem:98774DTXCID00133423

名称をさらに表示

4-(ジメチルアミノ)フェノールp-(ジメチルアミノ)フェノール4-ジメチルアミノフェノール4-(dimethylamino)phenoNeostigmine Impurity 44-N,N-DIMETHYLAMINOPHENOLPhenol,4-(diMethylaMino)-

210-604-8p-(Dimethylamino)phenolMFCD01707548p-dimethylaminophenolp-Hydroxy-N,N-dimethylaniline4-Dimethylamino-phenolNeostigmine Impurity 6EINECS 210-604-8

データベース識別子

CAS: 619-60-3
PubChem CID: 22174
DTXSID: DTXSID70210932
ChEMBL: CHEMBL3707216
ChEBI: CHEBI:135941
UNII: X387L5559O
EC Number: 210-604-8
Nikkaji: J135.646A

物性

構造計算による物性

XLogP: 2.1
極性表面積: 23.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 95

物理化学的性質

融点: 138 · 138-141℃
沸点: 260 ℃ · 260℃
比重(密度): 1.089 · 1.089
屈折率: 1.556 · 1.5560 (estimate)
闪点: 136 ℃ · 136℃
貯蔵温度: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
外見: solid
酸解離定数(Pka): 10.11 · 10.11±0.13(Predicted)
色: Off-white
InChI: InChI=1S/C8H11NO/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
InChIKey: JVVRCYWZTJLJSG-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(N(C)C)C=C1

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (77.8%): 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]；H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, 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 9 reports by companies from 4 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

Hazard Classes and CategoriesAcute Tox. 4 (77.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (11.1%)；STOT SE 3 (100%)

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

安全データ

rtecs: US9230000
ridadr: UN2928
hs_code: 2921490090
hazard_class: 6.1, 8

化学と産業

薬理情報

ATC Code · 2 件

V - Various；V03 - All other therapeutic products；V03A - All other therapeutic products；V03AB - Antidotes；V03AB27 - 4-dimethylaminophenol

QV - Various；QV03 - All other therapeutic products；QV03A - All other therapeutic products；QV03AB - Antidotes；QV03AB27 - 4-dimethylaminophenol

MeSH Pharmacological ClassificationAgents counteracting or neutralizing the action of POISONS.

用途と製造

UsesUsed in Germany as an antidote to induce methemoglobinemia in cases of cyanide poisoning; [Olson, p. 700]

上流・下流製品情報

上流原料

サプライヤー100 社

北京华美互利生物化工010-56205725 · [email protected]

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

成都市久鼎化学技术有限公司18584079237 · [email protected]

化合物ノート

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