Chlorodifluoroacetic acid (HCID 66154)

概要

RN given refers to parent cpd; structure given in first source

名称と識別子

優先名称: Chlorodifluoroacetic acid
IUPAC: 2-chloro-2,2-difluoroacetic acid
現地名: クロロジフルオロ酢酸
英語名: Chlorodifluoroacetic acid
分子式: C2HClF2O2
分子量: 130.48

名称と別名

Chlorodifluoroacetic acid76-04-0Acetic acid, chlorodifluoro-Acetic acid, 2-chloro-2,2-difluoro-NSC-60298CPP4X8QU8RDTXSID8058792RefChem:125395DTXCID0047824200-928-82-chloro-2,2-difluoroacetic acidC2HClF2O2

名称をさらに表示

クロロジフルオロ酢酸ジフルオロクロロ酢酸クロロジフルオロ酢酸塩化物ChlorodifluoroaceticCDFARARECHEM AL BO 1535DifluorochloricacidChlordifluoressigsurechlrodifluoroacetic acidchlorodifluoro-aceticaci

2-chloro-2,2-difluoro-acetic acidEINECS 200-928-8MFCD00004176NSC 60298AI3-52628difluorochloroacetic acidChlorodifluoroaceticacidchloro(difluoro)acetic acid

データベース識別子

CAS: 76-04-0
PubChem CID: 66154
DTXSID: DTXSID8058792
UNII: CPP4X8QU8R
EC Number: 200-928-8
Nikkaji: J5A

物性

構造計算による物性

XLogP: 1.2
極性表面積: 37.3 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: 91.7

実験および物理化学的性質

Chemical ClassesOther Classes -> Organic Acids

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionClear colorless to light brown liquid; mp = 20 deg C; [Acros Organics MSDS]

物理化学的性質

融点: 20 · 20-23 °C (lit.)
沸点: 122 °C · 122 °C (lit.)
比重(密度): 1.54 g/mL · 1.54 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.355(lit.)
闪点: 121 · 121-122°C
貯蔵温度: Inert atmosphere,Room Temperature
外見: clear liquid
酸解離定数(Pka): 1 · pK1: 0.46 (25°C)
色: Colorless to Brown
比重: 1.54 · 1.540
水溶解度: 溶ける
凝固点: 20 to · 20.0 to 24.0 ℃
BRN: 956625 · 956625
Henry's Law Constant: 2.5 · 2.5×102 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
InChI: 1S/C2HClF2O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey: OAWAZQITIZDJRB-UHFFFAOYSA-N
SMILES: OC(=O)C(F)(F)Cl
CAS データベース: 76 · 76-04-0(CAS DataBase Reference)
NISTの化学物質情報: Acetic acid, chlorodifluoro-(76-04-0)
EPAの化学物質情報: Acetic acid, chlorodifluoro- (76-04-0)

化学的性質

化学的特性CLEAR COLORLESS TO PALE BROWN LIQUID AFTER MELTING

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 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 InformationChemical: Acetic acid, chlorodifluoro-

Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract; [Acros Organics MSDS] See Dichloroacetic acid, Trichloroacetic acid, and Trifluoroacetic acid.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 19
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29159080
risk_code: 35
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Skin Corr. 1A
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing InformationAcetic acid, 2-chloro-2,2-difluoro-: ACTIVE

応用分野

使用It is employed as a starting material for generating difluorocarbene. It is also used as a pharmaceutical and agrochemicals intermediate.

上流・下流製品情報

下流製品

クロロジフルオロ酢酸メチルジフルオロ酢酸 4‐(ジフルオロメトキシ)‐3‐ヒドロキシベンズアルデヒド

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]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

常州新氟化学有限公司13275212658 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

クロロジフルオロ酢酸

基本情報

概要