3-(Heptadecafluorooctyl)aniline

HCID 4245356

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 119489-67-7
標準SMILES: Nc1cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1
InChIKey: FQQMUCAKAYUZFS-UHFFFAOYSA-N
分子式: C14H6F17N
平均分子量: 511.18 g/mol
単同位体質量: 511.02287893

名称と識別子

優先名称: 3-(Heptadecafluorooctyl)aniline
IUPAC: 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)aniline
英語名: 3-(Heptadecafluorooctyl)aniline
分子式: C14H6F17N
分子量: 511.18

名称と別名

3-(Heptadecafluorooctyl)aniline119489-67-7DTXSID30401167RefChem:275543DTXCID103520223-(Perfluorooctyl)aniline3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)anilineSCHEMBL22632543-(perfluoro-n-octyl)benzenamine3-(Heptadecafluorooctyl)aniline, >=95.0%NS00109867Benzenamine, 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-

データベース識別子

CAS: 119489-67-7
PubChem CID: 4245356
DTXSID: DTXSID30401167
EC Number: 999-197-2
Nikkaji: J3.690.595F

物性

構造計算による物性

XLogP: 6.8
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 18
回転可能結合数: 7
重原子数: 32
形式電荷: 0
複雑度: 679

実験および物理化学的性質

PFAS · 2 件

PFAS -> OECD Category

PFAS -> Other/unspecified

物理化学的性質

融点: 33 · 33-38 °C
外見: flakes
BRN: 6023253 · 6023253
InChI: 1S/C14H6F17N/c15-7(16,5-2-1-3-6(32)4-5)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-4H,32H2
InChIKey: FQQMUCAKAYUZFS-UHFFFAOYSA-N
SMILES: Nc1cccc(c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
EPAの化学物質情報: 3 · 3-(Heptadecafluorooctyl)aniline (119489-67-7)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302+H332 (100%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P354+P338, P317, P318, P319, P330, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

F: 10-23
wgk: 3
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Dam. 1Lact.Repr. 1BSTOT RE 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects