4,4,5,5,6,6,6-헵타플루오로-1-(2-티에닐)-1,3-헥산디온

1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-

HCID 68411CAS 559-94-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1cccs1
InChIKey: QHOQGOZSTQAYRH-UHFFFAOYSA-N
분자식: C10H5F7O2S
평균 분자량: 322.2 g/mol
단동위원소 질량: 321.98984771

이름 및 식별자

우선 이름: 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-
IUPAC: 4,4,5,5,6,6,6-heptafluoro-1-thiophen-2-ylhexane-1,3-dione
현지명: 4,4,5,5,6,6,6-헵타플루오로-1-(2-티에닐)-1,3-헥산디온
영어명: 4,4,5,5,6,6,6-HEPTAFLUORO-1-(2-THIENYL)-1,3-HEXANEDIONE
분자식: C10H5F7O2S
분자량: 322.2

이름 및 동의어

4,4,5,5,6,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-Perfluorobutyryl-(2-thenoyl)methaneNSC 9187RefChem:414999559-94-44,4,5,5,6,6,6-heptafluoro-1-(thiophen-2-yl)hexane-1,3-dione2-ThenoylperfluorobutyrylmethaneMFCD000470914,4,5,5,6,6,6-heptafluoro-1-(thien-2-yl)hexane-1,3-dione(Perfluorobutyryl)-2-thenoylmethaneDTXSID7060332

이름 더 보기

4,4,5,5,6,6,6-헵타플루오로-1-(2-티에닐)-1,3-헥산디온2-2-(Heptafluorobutyryl)acetylthiophene4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-3-hexanedione4,4,5,5,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione4,4,5,5,6,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione,95%

4,4,5,5,6,6,6-heptafluoro-1-thiophen-2-ylhexane-1,3-dioneNSC-9187Heptafluoro-1-(2-thienyl)-1,3-hexanedioneC10H5F7O2SNSC91879XDK54AX2LSCHEMBL45977694,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)hexane-1,3-dione

데이터베이스 식별자

CAS: 559-94-4
PubChem CID: 68411
DTXSID: DTXSID7060332
UNII: 9XDK54AX2L
EC Number: 671-017-4
Nikkaji: J1.603.161E

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 62.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 10
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 405

물리화학적 성질

녹는점: 214.5 °C · 214.5°C
끓는 점: 112 °C · 112 °C (8 mmHg)
밀도: 1.53 · 1.53
굴절률: 1.5005 · 1.5005-1.5025
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체
산도 계수 (pKa): 5.73 · 5.73±0.46(Predicted)
색상: 투명한
EPA: 1 · 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)- (559-94-4)

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

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)

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

유해성 정보

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

규제 정보

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.

안전 데이터

tsca: TSCA listed
HS 번호: 2934999090
hazard_code: Xi
safety_code: 24/25
위험 참고 사항: Irritant

화학 및 산업

용도 및 제조

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

General Manufacturing Information1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-: INACTIVE

공급사14 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

广东顺奥化学试剂有限公司19928586137 · [email protected]

Clearsynth Labs Limited+91-22-26355700 · [email protected]

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