2‐メチル‐4‐(トリフルオロメトキシ)アニリン

2-Methyl-4-(trifluoromethoxy)aniline

HCID 2775546

ノート反応

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基本情報

CAS: 86256-59-9
標準SMILES: Cc1cc(OC(F)(F)F)ccc1N
InChIKey: IIDBMILLZRYZCH-UHFFFAOYSA-N
分子式: C8H8F3NO
平均分子量: 191.15 g/mol
単同位体質量: 191.05579854

名称と識別子

優先名称: 2-Methyl-4-(trifluoromethoxy)aniline
IUPAC: 2-methyl-4-(trifluoromethoxy)aniline
現地名: 2‐メチル‐4‐(トリフルオロメトキシ)アニリン
英語名: 2-Methyl-4-(trifluoromethoxy)aniline
分子式: C8H8F3NO
分子量: 191.15

名称と別名

2-methyl-4-(trifluoromethoxy)aniline86256-59-9DTXSID60379582RefChem:263398DTXCID10330608679-059-5MFCD016315412-METHYL-4-TRIFLUOROMETHOXYANILINE2-METHYL-4-(TRIFLUOROMETHOXY)BENZENAMINE2-Methyl-4-(trifluoromethoxy) aniline4-trifluoromethoxy-2-methylanilineBenzenamine, 2-methyl-4-(trifluoromethoxy)-

名称をさらに表示

2‐メチル‐4‐(トリフルオロメトキシ)アニリン2-メチル-4-(トリフルオロメトキシ)アニリン2-メチル-4-トリフルオロメトキシアニリン4-TRIFLUOROMETHOXY-O-TOLUIDINE2-Methyl-4-(trifluoromethoxy)aniline 97%4-(Trifluoromethoxy)-o-toluidine (NH2=1)2-Methyl-4-(trifluoromethoxy)aniline, 97+%2-Amino-5-(trifluoromethoxy)toluene, 4-(Trifluoromethoxy)-o-toluidine2-Amino-5-(trifluoromethoxy)toluene, 4-Amino-3-methyl-alpha,alpha,alpha-trifluoroanisole

2-methyl-4-(trifluoromethoxy)phenylamineSCHEMBL1039855SCHEMBL29382481CL8402SBB091256AKOS006230210CS-W013219PB43594

データベース識別子

CAS: 86256-59-9
PubChem CID: 2775546
DTXSID: DTXSID60379582
EC Number: 679-059-5

物性

構造計算による物性

XLogP: 2.4
極性表面積: 35.3 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 171

物理化学的性質

沸点: 206.9 · 206.9±35.0 °C(Predicted)
比重(密度): 1.288 · 1.288±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 3.59 · 3.59±0.10(Predicted)
外見: liquid
色: Colourless
InChI: InChI=1S/C8H8F3NO/c1-5-4-6(2-3-7(5)12)13-8(9,10)11/h2-4H,12H2,1H3
InChIKey: IIDBMILLZRYZCH-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OC(F)(F)F)C=C1C
CAS データベース: 86256 · 86256-59-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302+H312+H332 (86.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.