1H,1H-헵타플루오로부틸트리플레이트

1H,1H-Heptafluorobutyl trifluoromethanesulphonate

HCID 2774894

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6401-01-0
표준 SMILES: O=S(=O)(OCC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIKey: NFLLLSBGBGDVEO-UHFFFAOYSA-N
분자식: C5H2F10O3S
평균 분자량: 332.12 g/mol
단동위원소 질량: 331.95649712

이름 및 식별자

우선 이름: 1H,1H-Heptafluorobutyl trifluoromethanesulphonate
IUPAC: 2,2,3,3,4,4,4-heptafluorobutyl trifluoromethanesulfonate
현지명: 1H,1H-헵타플루오로부틸트리플레이트
영어명: 1H,1H-HEPTAFLUOROBUTYL TRIFLATE
분자식: C5H2F10O3S
분자량: 332.12

이름 및 동의어

1H,1H-Heptafluorobutyl trifluoromethanesulphonateRefChem:437648828-274-46401-01-02,2,3,3,4,4,4-heptafluorobutyl trifluoromethanesulfonate1H,1H-Heptafluorobutyl triflate1H,1H-Heptafluorobutyl trifluoromethanesulfonateMFCD02093339C5H2F10O3SA834610SCHEMBL2434048DTXSID70379255

이름 더 보기

1H,1H-헵타플루오로부틸트리플레이트1H,1H-Heptafluorobutyltrifluoromethanesulphonate97%1H,1H-Heptafluorobutyl trifluoromethanesulphonate 97%2,2,3,3,4,4,4-HEPTAFLUOROBUTYL TRIFLUOROMETHANESULPHONATEMethanesulfonic acid, 1,1,1-trifluoro-, 2,2,3,3,4,4,4-heptafluorobutyl ester

trifluoromethanesulfonic acid 2,2,3,3,4,4,4-heptafluorobutyl ester2,2,3,3,4,4,4-heptakis(fluoranyl)butyl tris(fluoranyl)methanesulfonateAKOS007930420Methanesulfonic acid, trifluoro-, 2,2,3,3,4,4,4-heptafluorobutyl esterSY533960NS001112192,2,3,3,4,4,4-Heptafluorobutyltrifluoromethane sulfonate2,2,3,3,4,4,4-Heptafluorobutyltrifluoromethane-sulfonate

데이터베이스 식별자

CAS: 6401-01-0
PubChem CID: 2774894
DTXSID: DTXSID70379255
EC Number: 828-274-4

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 13
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 412

실험 및 물리화학적 성질

PFAS · 2건

PFAS -> Other/unspecified

PFAS -> OECD Category

물리화학적 성질

끓는 점: 118 · 118-120/732mm
밀도: 1.72 · 1.720±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
굴절률: 1.302 · 1.302
물리적 상태: 액체
색상: 투명한
InChI: 1S/C5H2F10O3S/c6-2(7,3(8,9)4(10,11)12)1-18-19(16,17)5(13,14)15/h1H2
InChIKey: NFLLLSBGBGDVEO-UHFFFAOYSA-N
SMILES: FC(F)(F)[S](=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)F
EPA: 1 H,1H-Heptafluorobutyl · 1H,1H-Heptafluorobutyl triflate (6401-01-0)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2904100090
hazard_code: C,T
위험 등급: TOXIC, CORROSIVE
위험 참고 사항: Corrosive/Toxic
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 3 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials