4H,5H,6H-cyclopenta[b]thiophen-4-one

HCID 1958632CAS 5650-51-1

기본 정보

표준 SMILES: O=C1CCc2sccc21
InChIKey: KOBLGOHFGYWCRC-UHFFFAOYSA-N
분자식: C7H6OS
평균 분자량: 138.19 g/mol
단동위원소 질량: 138.01393598

이름 및 식별자

우선 이름: 4H,5H,6H-cyclopenta[b]thiophen-4-one
IUPAC: 5,6-dihydrocyclopenta[b]thiophen-4-one
영어명: AKOS BB-9698
분자식: C7H6OS
분자량: 138.19

이름 및 동의어

4H,5H,6H-cyclopenta[b]thiophen-4-one4H,5H,6H-cyclopenta(b)thiophen-4-oneRefChem:527210823-209-65650-51-15,6-dihydro-4H-cyclopenta[b]thiophen-4-one5,6-dihydrocyclopenta[b]thiophen-4-one5,6-dihydro-cyclopenta[b]thiophen-4-oneMFCD00757271AKOS BB-96985,6-Dihydrocyclopenta(b)thiophen-4-one4H-Cyclopenta[b]thiophen-4-one, 5,6-dihydro-

이름 더 보기

5,6-Dihydro-4H-cyclopenta[b]thiophen-4-one, 97+%

SCHEMBL1747122DTXSID90365716KOBLGOHFGYWCRC-UHFFFAOYSA-NFAA65051AKOS003606949SB376955,6-dihydrocyclopenta[b]thiophene-4-one5,6-Dihydrocyclopenta(b )thiophen-4-one

데이터베이스 식별자

CAS: 5650-51-1
PubChem CID: 1958632
DTXSID: DTXSID90365716
EC Number: 823-209-6
Nikkaji: J716.250B

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 144

물리화학적 성질

녹는점: 115 · 115-117℃
끓는 점: 240 ℃ · 240℃
밀도: 1.322 · 1.322
인화점: 99 ℃ · 99℃
저장 조건: 2 · 2-8°C(protect from light)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

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