CAS 786-31-2 2,2,3,3-Tetrafluoropropyl 4-toluenesulfonate (HCID 2060597)

기본 정보

CAS: 786-31-2
표준 SMILES: Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)F)cc1
InChIKey: IMDNPHAMGJIKNV-UHFFFAOYSA-N
분자식: C10H10F4O3S
평균 분자량: 286.25 g/mol
단동위원소 질량: 286.02867806

이름 및 식별자

우선 이름: 2,2,3,3-Tetrafluoropropyl 4-toluenesulfonate
IUPAC: 2,2,3,3-tetrafluoropropyl 4-methylbenzenesulfonate
영어명: 2,2,3,3-TETRAFLUOROPROPYL 4-TOLUENESULFONATE
분자식: C10H10F4O3S
분자량: 286.24

이름 및 동의어

2,2,3,3-Tetrafluoropropyl 4-toluenesulfonateRefChem:440635670-658-7786-31-22,2,3,3-tetrafluoropropyl p-toluenesulfonate2,2,3,3-tetrafluoropropyl 4-methylbenzenesulfonateMFCD001559602,2,3,3-tetrafluoropropyl 4-methylbenzene-1-sulfonate2,2,3,3-Tetrafluoropropyl tosylate4-methylbenzenesulfonic acid 2,2,3,3-tetrafluoropropyl ester2,2,3,3-tetrafluoropropyl 4-toluenesulphonateC10H10F4O3S

이름 더 보기

2,5,5,6,6-pentafluoro-2-hexenoatetetrafluoropropyl p-toluene sulfonateSynonyms1H,1H,3H-Tetrafluoropropyl tosylat2,2,3,3-TETRAFLUOROPROPYL 4-TOLUENESULFOTE

SCHEMBL743574DTXSID103661842,2,3,3-tetrafluoropropanol tosylateAKOS003788848AB04142PS-10672SY109512DB-056323

데이터베이스 식별자

CAS: 786-31-2
PubChem CID: 2060597
DTXSID: DTXSID10366184
EC Number: 670-658-7
Nikkaji: J977.348G

물성

구조 계산 물성

XLogP: 3
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 356

물리화학적 성질

녹는점: 13 · 13-16°C
끓는 점: 134 °C · 134 °C
밀도: 1 · 1,4 g/cm3
굴절률: 1.4602 · 1.4602
인화점: 110 °C · >110°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Specific Gravity: 1.397 · 1.397
InChI: InChI=1S/C10H10F4O3S/c1-7-2-4-8(5-3-7)18(15,16)17-6-10(13,14)9(11)12/h2-5,9H,6H2,1H3
InChIKey: IMDNPHAMGJIKNV-UHFFFAOYSA-N
SMILES: C(OS(C1=CC=C(C)C=C1)(=O)=O)C(F)(F)C(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.