3,3,3-トリフルオロプロピルアミン

3,3,3-Trifluoropropylamine

HCID 10001

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 460-39-9
標準SMILES: NCCC(F)(F)F
InChIKey: NGZVNONVXYLYQW-UHFFFAOYSA-N
分子式: C3H6F3N
平均分子量: 113.08 g/mol
単同位体質量: 113.04523368

名称と識別子

優先名称: 3,3,3-Trifluoropropylamine
IUPAC: 3,3,3-trifluoropropan-1-amine
現地名: 3,3,3-トリフルオロプロピルアミン
英語名: 3,3,3-TRIFLUOROPROPYLAMINE
分子式: C3H6F3N
分子量: 113.08

名称と別名

3,3,3-TrifluoropropylamineRefChem:485097676-291-9460-39-93,3,3-trifluoropropan-1-amineTrifluoropropylamineMFCD016948541-Propanamine, 3,3,3-trifluoro-3,3,3-trifluoro-1-propanamineBRN 17347643,3,3-trifluoro-propylamine3,3,3-TRIFLUOROPROPYL-1-AMINE

名称をさらに表示

3,3,3-トリフルオロプロピルアミンCF3CH2CH2NH23,3,3-trifluoro-propylamin3,3,3-trifluoro-1-propanamin3,3,3-TRIFLUOROBUTYL-1-AMINE3,3,3-Trifluoropropylamine97%1-Amino-3,3,3-trifluoropropane

PROPYLAMINE, 3,3,3-TRIFLUORO-1-Propanamine, 3,3,3-trifluoro- (9CI)SCHEMBL5088019DTXSID10196680FS-55353,3,3-trifluoropropylamine, AldrichCPRBB 0259905EN300-41780

データベース識別子

CAS: 460-39-9
PubChem CID: 10001
DTXSID: DTXSID10196680
ChEMBL: CHEMBL1162287
EC Number: 676-291-9
Nikkaji: J3.559.514G

物性

構造計算による物性

XLogP: 0.8
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 48

実験および物理化学的性質

Dissociation Constants8.7

物理化学的性質

沸点: 67 °C · 67 °C
比重(密度): 1.152 · 1.152±0.06 g/cm3(Predicted)
屈折率: 1.3316 · 1.3316
酸解離定数(Pka): 8.18 · 8.18±0.10(Predicted)
外見: liquid
色: Clear
InChI: 1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2
InChIKey: NGZVNONVXYLYQW-UHFFFAOYSA-N
SMILES: NCCC(F)(F)F

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (40%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H300 (20%): Fatal if swallowed [Danger Acute toxicity, oral]；H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (60%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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. 2 (20%)；Acute Tox. 4 (20%)；Skin Corr. 1B (60%)；Skin Irrit. 2 (40%)；Eye Dam. 1 (40%)；Eye Irrit. 2 (20%)；Acute Tox. 4 (20%)；STOT SE 3 (40%)

安全データ

wgk: WGK 3
ridadr: UN2734
hs_code: 2921199990
risk_code: 41
hazard_code: C
hazard_note: Corrosive
safety_code: 26-39
hazard_class: 8, 3
Hazard Classifications: Acute Tox. 2 OralEye Dam. 1Skin Corr. 1B
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials