기본 정보
- 표준 SMILES
O=S(=O)(OCCCl)C(F)(F)F- InChIKey
OJEPTKFBWNNVHK-UHFFFAOYSA-N- 분자식
- C3H4ClF3O3S
- 평균 분자량
- 212.58 g/mol
- 단동위원소 질량
- 211.9521773
이름 및 식별자
- 우선 이름
- 2-Chloroethyl trifluoromethanesulfonate
- IUPAC
- 2-chloroethyl trifluoromethanesulfonate
- 현지명
- 메탄술폰산,트리플루오로-,2-클로로에틸에스테르
- 영어명
- Methanesulfonic acid, trifluoro-, 2-chloroethyl ester
- 분자식
- C3H4ClF3O3S
- 분자량
- 212.58
이름 및 동의어
2-chloroethyl trifluoromethanesulfonateRefChem:470448838-304-873323-80-5NSC 3140432-Chloroethyl trifluoromethanesulphonateMFCD18074401NSC-314043Methanesulfonic acid, trifluoro-, 2-chloroethyl esterNSC3140432-Chloroethyltriflate2-chloroethyl triflate
이름 더 보기
메탄술폰산,트리플루오로-,2-클로로에틸에스테르2-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
데이터베이스 식별자
- CAS
73323-80-5- PubChem CID
- 100525
- DTXSID
DTXSID10223561- ChEMBL
CHEMBL167526- UNII
- ZJ8QW7PCL5
- EC Number
- 838-304-8
- Nikkaji
- J2.493.732A
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 51.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 203
물리화학적 성질
- 녹는점
- -50.5 · -50.5--50.0 °C
- 끓는 점
- 170.8 · 170.8±40.0 °C(Predicted)
- 밀도
- 1.595 · 1.595±0.06 g/cm3(Predicted)
안전 및 규제
GHS 분류
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.
유해성 정보
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%)
안전 데이터
- HS 번호
- 2904990090
화학 및 산업
공급사6 곳
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]
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