4,4,4-트리플루오로부트-2-EN-1-OL

4,4,4-Trifluoro-2-buten-1-ol

HCID 2777076CAS 674-53-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCC=CC(F)(F)F
InChIKey: UUTWQLLIVDODPQ-UHFFFAOYSA-N
분자식: C4H5F3O
평균 분자량: 126.08 g/mol
단동위원소 질량: 126.02924944

이름 및 식별자

우선 이름: 4,4,4-Trifluoro-2-buten-1-ol
IUPAC: 4,4,4-trifluorobut-2-en-1-ol
현지명: 4,4,4-트리플루오로부트-2-EN-1-OL
영어명: 4,4,4-TRIFLUOROBUT-2-EN-1-OL
분자식: C4H5F3O
분자량: 126.08

이름 및 동의어

4,4,4-trifluoro-2-buten-1-ol2-Buten-1-ol, 4,4,4-trifluoro-RefChem:284699614-064-8674-53-32-Buten-1-ol, 4,4,4-trifluoro-, (E)-83706-94-9C4H5F3O(2Z)-4,4,4-TRIFLUOROBUT-2-EN-1-OL2-Buten-1-ol,4,4,4-trifluoro-, (2Z)-SCHEMBL2317874SCHEMBL2494482

이름 더 보기

4,4,4-트리플루오로부트-2-EN-1-OL4,4,4-TRIFLUOROBUT-2-EN-1-OL2-Buten-1-ol,4,4,4-trifluoro-4,4,4-Trifluorocrotyl alcohol4,4,4-Trifluorobut-2-en-1-ol97%(E)-4,4,4-trifluoro-2-buten-1-ol(E)-4,4,4-trifluorobut-2-en-1-ol4,4,4-Trifluorobut-2-en-1-ol 97%4,4,4-Trifluorocrotyl alcohol 97%4,4,4-TRIFLUOROBUT-2-EN-1-OL, MIXTURE OF E/Z ISOMERS

WLXXEZSEVYYTLH-UHFFFAOYSA-NDTXSID5013094684,4,4-Trifluorobut-2-en-1-ol(trans)DB-055032NS001341422-fluoro-3-(trifluoromethyl)-phenylacetonitrile

데이터베이스 식별자

CAS: 674-53-3
PubChem CID: 2777076
DTXSID: DTXSID501309468
EC Number: 614-064-8

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 83.8

실험 및 물리화학적 성질

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

물리화학적 성질

끓는 점: 118 · 118-119°C
밀도: 1.235 · 1.235±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 13.15 · 13.15±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]