Methyl 2,2,3,3,4,4,4-heptafluorobutanoate (HCID 67741)

名称と識別子

優先名称: Methyl 2,2,3,3,4,4,4-heptafluorobutanoate
IUPAC: methyl 2,2,3,3,4,4,4-heptafluorobutanoate
現地名: ヘプタフルオロ酪酸メチル
英語名: METHYL HEPTAFLUOROBUTYRATE
分子式: C5H3F7O2
分子量: 228.06

名称と別名

Methyl heptafluorobutyrate356-24-1Methyl 2,2,3,3,4,4,4-heptafluorobutanoateMethyl perfluorobutyrateButanoic acid, heptafluoro-, methyl esterHeptafluorobutyryl methyl esterOZ6T850AR02,2,3,3,4,4,4-Heptafluoro-butyric acid methyl esterRefChem:817767206-600-0Methyl heptafluorobutanoateMethyl perfluorobutanoate

名称をさらに表示

ヘプタフルオロ酪酸メチルヘプタフルオロブタン酸メチル2,2,3,3,4,4,4-ヘプタフルオロブタン酸メチルmethylheptafluorobutanoateMETHYL PERFLUORO-N-BUTYRATEMethylHeptafluorobutyrate>METHYL HEPTAFLUORO-N-BUTYRATEMethyl perfluorobutanoate 98%Methylheptafluorobutyrate,98%

Heptafluorobutyric acid methyl esterMFCD00000433Butyric acid, heptafluoro-, methyl esterDTXSID4059881methylheptafluorobutyrateButanoic acid, 2,2,3,3,4,4,4-heptafluoro-, methyl esterEINECS 206-600-0methyl perfluorbutanoate

データベース識別子

CAS: 356-24-1
PubChem CID: 67741
DTXSID: DTXSID4059881
UNII: OZ6T850AR0
EC Number: 206-600-0
Nikkaji: J111.004G

物性

構造計算による物性

XLogP: 2.6
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 9
回転可能結合数: 3
重原子数: 14
形式電荷: 0
複雑度: 231

実験および物理化学的性質

PFAS · 4 件

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Other/unspecified

PFAS -> OECD Category

SpringerMaterials PropertiesDiamagnetic susceptibility

物理化学的性質

融点: -86 °C · -86°C
沸点: 80 · 80-81 °C(lit.)
比重(密度): 1.472 g/mL · 1.472 g/mL at 25 °C(lit.)
蒸気密度: 1 · >1 (vs air)
屈折率: 20 · n20/D 1.293(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Storage temp. 2-8°C
水溶解度: Slightly soluble in water
外見: clear liquid
比重: 1.472 · 1.472
色: Colorless to Almost colorless
BRN: 1792131 · 1792131
InChI: InChI=1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3
InChIKey: MRPUVAKBXDBGJQ-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(F)(F)C(F)(F)C(F)(F)F
CAS データベース: 356 · 356-24-1(CAS DataBase Reference)
EPAの化学物質情報: Methyl heptafluorobutyrate (356-24-1)

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

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 45 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

Regulatory InformationStatus: Active Update: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24059

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3272 3/PG II
hs_code: 29159000
risk_code: 36/37/38
消防法: 危-4-1-II
hazard_code: Xi,F
hazard_note: Flammable
safety_code: 26-36-36/37/39
hazard_class: IRRITANT, FLAMMABLE
packing_group: II

化学と産業

用途と製造

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

General Manufacturing InformationButanoic acid, 2,2,3,3,4,4,4-heptafluoro-, methyl ester: ACTIVE

応用分野

使用Methyl Heptafluorobutyrate is used in method for preparing high-carbon branched secondary Alcohol, and its application in preparing surfactant.

上流・下流製品情報

上流原料

1,2-Oxathietane, 3,3,4-trifluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-, 2,2-dioxide Acetyl fluoride, 2-fluoro-2-(fluorosulfonyl)-Butanimidic acid,2,2,3,3,4,4,4-heptafluoro-, methyl ester ヘプタフルオロブチリルフルオリドメタノール carbon monoxide

下流製品

ヘプタフルオロブチルアミド Heptafluorobutanal methyl hemiacetal 2,2,3,3,4,4,4-ヘプタフルオロ-1-ブタノールヘプタフルオロ酪酸 t-ブチルヒドロペルオキシド

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

ヘプタフルオロ酪酸メチル

基本情報