基本情報
- 標準SMILES
OCC(Cl)Cl- InChIKey
IDJOCJAIQSKSOP-UHFFFAOYSA-N- 分子式
- C2H4Cl2O
- 平均分子量
- 114.96 g/mol
- 単同位体質量
- 113.96392011
概要
2,2-dichloroethanol is a clear pale yellow liquid. (NTP, 1992)
名称と識別子
- 優先名称
- 2,2-Dichloroethanol
- IUPAC
- 2,2-dichloroethanol
- 現地名
- 2,2-ジクロロエタノール
- 英語名
- 2,2-DICHLOROETHANOL
- 分子式
- C2H4Cl2O
- 分子量
- 114.96
名称と別名
名称をさらに表示
データベース識別子
- CAS
598-38-9- PubChem CID
- 11718
- DTXSID
DTXSID4024989- ChEMBL
CHEMBL113957- UNII
- RU6JX11G7W
- EC Number
- 209-931-9
- Nikkaji
- J1.650K
物性
構造計算による物性
- XLogP
- 0.4
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 5
- 形式電荷
- 0
- 複雑度
- 21.6
実験および物理化学的性質
物理化学的性質
- 沸点
- 146 °C · 146 °C (lit.)
- 比重(密度)
- 1.404 g/mL · 1.404 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.473(lit.)
- 闪点
- 173 °F · 173 °F
- 貯蔵温度
- Refrigerator
- 溶解性
- クロロホルム
- 酸解離定数(Pka)
- 13.09 · 13.09±0.10(Predicted)
- 外見
- 油
- 色
- 無色
- Henry's Law Constant
- 3.7 · 3.7×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
- 安定性
- 安定。可燃性。酸化剤と相容れない。
- InChI
- InChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2
- InChIKey
- IDJOCJAIQSKSOP-UHFFFAOYSA-N
- SMILES
- C(O)C(Cl)Cl
- CAS データベース
- 598 · 598-38-9
- EPAの化学物質情報
- 2 · 2,2-Dichloroethanol (598-38-9)
化学的性質
化学的特性colourless to light yellow liquid
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KK4100000
- risk_code
- 20/21/22-40
- hazard_code
- Xn
- safety_code
- 7-23-36/37/39-45
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
応用分野
一般的な説明Clear pale yellow liquid.
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