基本情報
- CAS
401-67-2- 標準SMILES
O=C(OC(=O)C(F)F)C(F)F- InChIKey
IYXUFOCLMOXQSL-UHFFFAOYSA-N- 分子式
- C4H2F4O3
- 平均分子量
- 174.05 g/mol
- 単同位体質量
- 173.99400657
名称と識別子
- 優先名称
- Difluoroacetic anhydride
- IUPAC
- (2,2-difluoroacetyl) 2,2-difluoroacetate
- 現地名
- ジフルオロ酢酸無水物
- 英語名
- DIFLUOROACETIC ANHYDRIDE
- 分子式
- C4H2F4O3
- 分子量
- 174.05
名称と別名
名称をさらに表示
データベース識別子
- CAS
401-67-2- PubChem CID
- 2774048
- DTXSID
DTXSID90378861- EC Number
- 674-863-2
- Nikkaji
- J3.794.961B
物性
構造計算による物性
- XLogP
- 1.6
- 極性表面積
- 43.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 7
- 回転可能結合数
- 4
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 149
物理化学的性質
- 沸点
- 94 ℃ · 94℃
- 比重(密度)
- 1.4 · 1.4
- 屈折率
- 1.341 · 1.3410-1.3450
- 闪点
- 11 ℃ · 11℃
- 外見
- clear liquid
- 色
- Colorless to Light yellow to Light orange
- 比重
- 1.59 · 1.59
- InChI
- InChI=1S/C4H2F4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
- InChIKey
- QNRXDQIHPGZCFB-UHFFFAOYSA-N
- SMILES
- C(=O)(C(F)F)OC(=O)C(F)F
- CAS データベース
- 401 · 401-67-2
化学的性質
化学的特性Light yellow liquid
安全と法規制
GHS分類
GHS Classification
Danger
H225 (22.2%): Highly Flammable liquid and vapor [Danger Flammable liquids];H290 (11.1%): May be corrosive to metals [Warning Corrosive to Metals];H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (11.1%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H332 (44.4%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (22.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (11.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 9 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
安全データ
- ridadr
- 3265
- hs_code
- 29189900
- 消防法
- 危-4-3-III
- hazard_code
- C
- hazard_class
- CORROSIVE
- packing_group
- II
化学と産業
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