2,2-Difluoro-2-(fluorosulfonyl)acetic acid

HCID 2737516CAS 1717-59-5

기본 정보

표준 SMILES: O=C(O)C(F)(F)S(=O)(=O)F
InChIKey: VYDQUABHDFWIIX-UHFFFAOYSA-N
분자식: C2HF3O4S
평균 분자량: 178.09 g/mol
단동위원소 질량: 177.95476417

이름 및 식별자

우선 이름: 2,2-Difluoro-2-(fluorosulfonyl)acetic acid
IUPAC: 2,2-difluoro-2-fluorosulfonylacetic acid
영어명: 2-(Fluorosulfonyl)difluoroacetic acid
분자식: C2HF3O4S
분자량: 178.09

이름 및 동의어

1717-59-52,2-Difluoro-2-(fluorosulfonyl)acetic acidDTXSID10372104RefChem:243286DTXCID70323137629-236-82-(fluorosulfonyl)difluoroacetic acid2-(fluorosulphonyl)difluoroacetic acid2,2-difluoro-2-fluorosulfonylacetic aciddifluoro(fluorosulfonyl)acetic acidC2HF3O4Sfluorosulfonyldifluoroacetic acid

이름 더 보기

2,2-DIFLUORO-2-(FLUOROSULFONYL)ACETATEDifluoro(fluorosulphonyl)acetic acidDifluoro(fluorosulphonyl)acetic acid 98%2,2-Difluoro-2-(fluorosulfony)acetic Acid2,2-Difluoro-2-(fluorosulfonyl)aceticAcid>Acetic acid, 2,2-difluoro-2-(fluorosulfonyl)-

2,2-difluoro-2-fluorosulfonyl-acetic Acid2-Fluorosulfonyldifluoroacetic acidMFCD01320807Acetic acid, difluoro(fluorosulfonyl)-(FLUOROSULFONYL)DIFLUOROACETIC ACIDFSO2CF2CO2HSCHEMBL28373fluorosulfonyl difluoroacetic acid

데이터베이스 식별자

CAS: 1717-59-5
PubChem CID: 2737516
DTXSID: DTXSID10372104
EC Number: 629-236-8
Nikkaji: J1.812.793H

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 79.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 236

물리화학적 성질

끓는 점: 153 °C · 153 °C(lit.)
밀도: 1.723 g/mL · 1.723 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.36(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Storage temp. 2-8°C
용해도: 클로로포름(에 용해됨), DMSO(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): -0.38 · -0.38±0.10(Predicted)
색상: 무색의
수용성: 물에 용해됩니다.
InChI: InChI=1S/C2HF3O4S/c3-2(4,1(6)7)10(5,8)9/h(H,6,7)
InChIKey: VYDQUABHDFWIIX-UHFFFAOYSA-N
SMILES: C(O)(=O)C(F)(F)S(F)(=O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (86.3%): Fatal if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 1 (86.3%)

안전 데이터

wgk: 3
tsca: No
ridadr: UN 1760 8/PG 2
HS 번호: 29159000
risk_code: 34-35-27/28
hazard_code: C,T+
safety_code: 26-27-36/37/39-45-28
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Acute Tox. 2 OralSkin Corr. 1A
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야

용도An important reagent in the synthesis of difluorocarbenes and difluorocyclopropanes.

일반 설명2,2-Difluoro-2-(fluorosulfonyl)acetic acid reagent is employed as a difluorocarbene source for difluoromethylation of phenolic hydroxyl groups.