2-アミノ-6-(トリフルオロメチル)ピリジン

2-Amino-6-(trifluoromethyl)pyridine

HCID 821024CAS 34486-24-3

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1cccc(C(F)(F)F)n1
InChIKey: NFYYDQMFURPHCC-UHFFFAOYSA-N
分子式: C6H5F3N2
平均分子量: 162.11 g/mol
単同位体質量: 162.04048282

名称と識別子

優先名称: 2-Amino-6-(trifluoromethyl)pyridine
IUPAC: 6-(trifluoromethyl)pyridin-2-amine
現地名: 2-アミノ-6-(トリフルオロメチル)ピリジン
英語名: 2-Amino-6-(trifluoromethyl)pyridine
分子式: C6H5F3N2
分子量: 162.11

名称と別名

2-Amino-6-(trifluoromethyl)pyridine34486-24-3DTXSID00356271RefChem:464703DTXCID10307330636-458-96-(trifluoromethyl)pyridin-2-amineMFCD030938686-(trifluoromethyl)-2-pyridinylamineEN300-614962-Pyridinamine, 6-(trifluoromethyl)-6-(trifluoromethyl)-2-pyridylamine

名称をさらに表示

2-アミノ-6-(トリフルオロメチル)ピリジン2-アミノ-6-(トリフルオロメチル)ピリジン, 98+%4-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE2-Amino-6-(trifL6-trifluromethylpyridin-2-amine6-trifluoromethyl-2-pyridinamine2-Amino-6-(trifloromethyl)pyridine6-TrifluoroMethyl-pyridin-2-ylaMine

2-amino-6-trifluoromethylpyridine6-(trifluoromethyl)-2-pyridinamineAQ-776/42801241SCHEMBL181081SCHEMBL21855912SCHEMBL305316876-trifluoromethylpyridin-2-aminePBPDHPGJRZUHJW-UHFFFAOYSA-N

データベース識別子

CAS: 34486-24-3
PubChem CID: 821024
DTXSID: DTXSID00356271
EC Number: 636-458-9
Nikkaji: J2.152.094B

物性

構造計算による物性

XLogP: 1.4
極性表面積: 38.9 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: 0
重原子数: 11
形式電荷: 0
複雑度: 134

物理化学的性質

融点: 85 · 85-89 °C
沸点: 192.1 · 192.1±40.0 °C(Predicted)
比重(密度): 1.368 · 1.368±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 3.13 · 3.13±0.24(Predicted)
色: Light yellow to Brown to Dark green
BRN: 473259 · 473259
InChI: InChI=1S/C6H5F3N2/c7-6(8,9)4-2-1-3-5(10)11-4/h1-3H,(H2,10,11)
InChIKey: NFYYDQMFURPHCC-UHFFFAOYSA-N
SMILES: C1(N)=NC(C(F)(F)F)=CC=C1
CAS データベース: 34486 · 34486-24-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H300 (83.7%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 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. 2 (83.7%)

安全データ

wgk: 3
ridadr: UN 2811 6.1/PG 1
hs_code: 29333990
risk_code: 25-36/37/38-43-20/21/22
hazard_code: T,Xi,Xn
hazard_note: Irritant/Toxic
safety_code: 26-36/37-45-36
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials