5-Fluoro-1-indanone

HCID 136537CAS 700-84-5

기본 정보

표준 SMILES: O=C1CCc2cc(F)ccc21
InChIKey: WVPPBVAMKNQXJA-UHFFFAOYSA-N
분자식: C9H7FO
평균 분자량: 150.15 g/mol
단동위원소 질량: 150.04809306

이름 및 식별자

우선 이름: 5-Fluoro-1-indanone
IUPAC: 5-fluoro-2,3-dihydroinden-1-one
영어명: 5-Fluoro-1-indanone
분자식: C9H7FO
분자량: 150.15

이름 및 동의어

5-Fluoro-1-indanone700-84-5DTXSID90220270RefChem:535675DTXCID90142761615-057-25-fluoro-2,3-dihydro-1h-inden-1-one5-fluoroindan-1-one5-fluoro-2,3-dihydroinden-1-oneMFCD000410311H-INDEN-1-ONE, 5-FLUORO-2,3-DIHYDRO-CCG-48239

이름 더 보기

uoro-1-indanone5-Fluro-1-indanone5-fluoro-l-indanone5-fluoro-1-indonone5-Fluoro-L-Indonone5-Flouro-1-indanone5-Fluoro-1-Indenone5-FLUORO-INDAN-1-ONE

GEO-01402AC-2267F0376EN300-68421F8889-36445-fluoroindanone5-fluoro indanone5-Fluoro-1-indanon

데이터베이스 식별자

CAS: 700-84-5
PubChem CID: 136537
DTXSID: DTXSID90220270
EC Number: 615-057-2
Nikkaji: J265.916F

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 178

물리화학적 성질

녹는점: 38 · 38-40 °C (lit.)
끓는 점: 113 · 113-114 °C (lit.)
밀도: 1.216 g/mL · 1.216 g/mL at 25 °C (lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 결정질 저융점 고체
Specific Gravity: 1.216 · 1.216
색상: 흰색에서 노란색으로
수용성: 불용성
BRN: 1617799 · 1617799
InChI: InChI=1S/C9H7FO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKey: WVPPBVAMKNQXJA-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(F)C=C2)CC1

화학적 성질

white to yellowish crystalline low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (87.2%)

안전 데이터

wgk: 3
HS 번호: 29147000
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Fluoro-1-indanone was used to prepare precursor for thiosemicarbazones derived from 1-indanones. It was used in the synthesis of 6-fluoro-1,2,3,4-tetrahydroquinoline hydrochloride.