3-メトキシ-5-(トリフルオロメチル)アニリン

5-(Trifluoromethyl)-m-anisidine

HCID 605671CAS 349-55-3

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1cc(N)cc(C(F)(F)F)c1
InChIKey: VTFGJEYZCUWSAM-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: 5-(Trifluoromethyl)-m-anisidine
IUPAC: 3-methoxy-5-(trifluoromethyl)aniline
現地名: 3-メトキシ-5-(トリフルオロメチル)アニリン
英語名: 3-Methoxy-5-(trifluoromethyl)aniline
分子式: C8H8F3NO
分子量: 191.15

名称と別名

3-Methoxy-5-(trifluoromethyl)aniline349-55-35-(Trifluoromethyl)-m-anisidineDTXSID00188453EINECS 206-487-896360-75-7RefChem:531779DTXCID30110944206-487-8829-353-63-Amino-5-methoxybenzotrifluorideMFCD00000393

名称をさらに表示

3-アミノ-5-メトキシベンゾトリフルオリド3-メトキシ-5-(トリフルオロメチル)アニリン1-アミノ-3-メトキシ-5-(トリフルオロメチル)ベンゼンTIMTEC-BB SBB0002955-TRIFLUOROMETHYL-M-ANISIDINE3-Methoxy-5-(trifluoromethyl)anil3-Amino-5-methoxybenzotrifluoride97%5-methoxy-α,α,α-trifluoro-m-toluidine3-Amino-5-methoxybenzotrifluoride 97%3-METHOXY-5-TRIFLUOROMETHYL-PHENYLAMINE3-Methoxy-5-(trifluoromethyl)aniline>

3-(trifluoromethyl)-5-methoxybenzenamineBenzenamine, 3-methoxy-5-(trifluoromethyl)-3-methoxy-5-(trifluoromethyl)benzenamine3-METHOXY-5-TRIFLUOROMETHYLANILINESCHEMBL130736GEO-01733AKOS005063670PS-8359

データベース識別子

CAS: 349-55-3、96360-75-7
PubChem CID: 605671
DTXSID: DTXSID00188453
EC Number: 206-487-8、829-353-6
Nikkaji: J193.809F

物性

構造計算による物性

XLogP: 2.1
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

融点: 50 · 50-52 °C (lit.)
沸点: 242 · 242.0±40.0 °C(Predicted)
比重(密度): 1.28 · 1.280±0.06 g/cm3(Predicted)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 2.95 · 2.95±0.10(Predicted)
色: Light yellow to Brown
InChI: 1S/C8H8F3NO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4H,12H2,1H3
InChIKey: VTFGJEYZCUWSAM-UHFFFAOYSA-N
SMILES: COc1cc(N)cc(c1)C(F)(F)F
CAS データベース: 349 · 349-55-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (41.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 73 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
ridadr: PG3
hs_code: 29222990
risk_code: 20/21/22-36/37/38-23-22
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-37/39-24/25
hazard_class: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids