基本情報
- CAS
73323-80-5- 標準SMILES
O=S(=O)(OCCCl)C(F)(F)F- InChIKey
OJEPTKFBWNNVHK-UHFFFAOYSA-N- 分子式
- C3H4ClF3O3S
- 平均分子量
- 212.58 g/mol
- 単同位体質量
- 211.9521773
名称と識別子
- 優先名称
- 2-Chloroethyl trifluoromethanesulfonate
- IUPAC
- 2-chloroethyl trifluoromethanesulfonate
- 英語名
- Methanesulfonic acid, trifluoro-, 2-chloroethyl ester
- 分子式
- C3H4ClF3O3S
- 分子量
- 212.58
名称と別名
2-chloroethyl trifluoromethanesulfonateRefChem:470448838-304-873323-80-5NSC 3140432-Chloroethyl trifluoromethanesulphonateMFCD18074401NSC-314043Methanesulfonic acid, trifluoro-, 2-chloroethyl esterNSC3140432-Chloroethyltriflate2-chloroethyl triflate
名称をさらに表示
2-Chloroethyl trifluoromethanesulphonate 95%Methanesulfonic acid, 1,1,1-trifluoro-, 2-chloroethyl ester3-(Palmitoyloxy)-2-((10-(pyren-1-yl)decanoyl)oxy)propyl (2-(trimethylammonio)ethyl) phosphate
ZJ8QW7PCL5CHEMBL167526SCHEMBL1924854DTXSID10223561YCA32380AKOS025310225CS-02313702-Chloroethyl 1,1,1-trifluoromethanesulfonate
データベース識別子
- CAS
73323-80-5- PubChem CID
- 100525
- DTXSID
DTXSID10223561- ChEMBL
CHEMBL167526- UNII
- ZJ8QW7PCL5
- EC Number
- 838-304-8
- Nikkaji
- J2.493.732A
物性
構造計算による物性
- XLogP
- 1.4
- 極性表面積
- 51.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 3
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 203
物理化学的性質
- 融点
- -50.5 · -50.5--50.0 °C
- 沸点
- 170.8 · 170.8±40.0 °C(Predicted)
- 比重(密度)
- 1.595 · 1.595±0.06 g/cm3(Predicted)
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
安全データ
- hs_code
- 2904990090
化学と産業
サプライヤー6 社
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海萃森医药科技有限公司13472757003
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
関連反応
4 件
化合物ノート
読み込み中…