CAS 2240-88-2 3,3,3-Trifluoro-1-propanol (HCID 137512)

名称と識別子

優先名称: 3,3,3-Trifluoro-1-propanol
IUPAC: 3,3,3-trifluoropropan-1-ol
現地名: 3,3,3-トリフルオロ-1-プロパノール
英語名: 3,3,3-Trifluoro-1-propanol
分子式: C3H5F3O
分子量: 114.07

名称と別名

3,3,3-Trifluoro-1-propanol3,3,3-Trifluoropropan-1-olDTXSID30870950RefChem:90728DTXCID00818627670-540-5HDBGBTNNPRCVND-UHFFFAOYSA-N2240-88-23,3,3-trifluoropropanol65530-60-1MFCD00190649SCHEMBL10127

名称をさらに表示

3,3,3-トリフルオロ-1-プロパノール3,3,3-トリフルオロプロパン-1-オール3,3,3-トリフルオロ-1-プロパノール, 97%uoropropan-1-oL3,3,3-TRIFLUOROPROPANOL-13,3,3-Trifluoropropanol-1-ol3,3,3-TRIFLUORO-1-PROPANOL(I)3,3,3-Trifluoropropan-1-ol97%3,3, 3-trifluoro-propano-1-ol

3,3,3-Trifluoro-propan-1-olCS-W011251AB04522EN300-702581-Propanol, 3,3,3-trifluoro-trifluoropropanolAMY6830FT-OH

データベース識別子

CAS: 2240-88-2、65530-60-1
PubChem CID: 137512
DTXSID: DTXSID30870950
ChEMBL: CHEMBL4515005
EC Number: 613-814-1、670-540-5
Nikkaji: J1.053.223J

物性

構造計算による物性

XLogP: 0.4
極性表面積: 20.2 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: 48.6

実験および物理化学的性質

PFAS · 4 件

PFAS -> F-telomer alcohols (FTOH)

PFAS -> Non polymer polymers

PFAS -> Intentionally added food contact chemicals

PFAS -> Other/unspecified

SpringerMaterials PropertiesSchoenflies notation

LogP0.39

物理化学的性質

沸点: 100 °C · 100 °C
比重(密度): 1 · 1,294 g/cm3
屈折率: 1.32 · 1.32
闪点: 37 °C · 37°C
貯蔵温度: 2 · 2-8°C
外見: clear liquid
酸解離定数(Pka): 14.09 · 14.09±0.10(Predicted)
色: Colorless to Almost colorless
比重: 1.294 · 1.294
水溶解度: 水に完全に混和します。
BRN: 1734777 · 1734777
InChI: InChI=1S/C3H5F3O/c4-3(5,6)1-2-7/h7H,1-2H2
InChIKey: HDBGBTNNPRCVND-UHFFFAOYSA-N
SMILES: C(O)CC(F)(F)F
CAS データベース: 2240 · 2240-88-2(CAS DataBase Reference)
EPAの化学物質情報: 3 · 3,3,3-Trifluoropropan-1-ol (2240-88-2)

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (23.5%): Flammable liquid and vapor [Warning Flammable liquids]

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

Aggregated GHS information provided per 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationPoly(difluoromethylene), .alpha.-fluoro-.omega.-(2-hydroxyethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesFlam. Liq. 3 (23.5%)

安全データ

wgk: WGK 3
ridadr: 1987
hs_code: 29055900
risk_code: 20/21/22-36/37/38-36-25-10
消防法: 危-4-2-III
hazard_code: F,T
hazard_note: Flammable
safety_code: 26-36/37/39-45-37
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

Uses• Surface active agent in oil and gas drilling, extraction, and support activities [Ref: https://www.epa.gov/chemical-data-reporting/2016-chemical-data-reporting-results]

Use ClassificationPFAS -> F-telomer alcohols (FTOH)