CAS 136239-66-2 1-Butoxy-2,3-Difluorobenzene (HCID 2782939)

기본 정보

CAS: 136239-66-2
표준 SMILES: CCCCOc1cccc(F)c1F
InChIKey: HYDIPEHDSUNHPA-UHFFFAOYSA-N
분자식: C10H12F2O
평균 분자량: 186.2 g/mol
단동위원소 질량: 186.08562144

이름 및 식별자

우선 이름: 1-Butoxy-2,3-Difluorobenzene
IUPAC: 1-butoxy-2,3-difluorobenzene
현지명: 1-부톡시-2,3-디플루오로벤젠
영어명: 1-BUTOXY-2,3-DIFLUOROBENZENE
분자식: C10H12F2O
분자량: 186.2

이름 및 동의어

1-Butoxy-2,3-Difluorobenzene136239-66-2DTXSID70382365RefChem:75239DTXCID50333390446-810-12,3-DIFLUOROBUTOXYBENZENE1-n-Butoxy-2,3-difluorobenzeneC10H12F2OMFCD073687383-butoxy-1,2-difluorobenzene1-butoxy-2,3-difluoro-benzene

이름 더 보기

1-부톡시-2,3-디플루오로벤젠1-Butoxy-2,3-difluoroben2,3-difluoro-1-butoxybenzene2,3-Difluorophenyl butyl ether1-n-Butoxy-2,3-difluorobenzene, 95%But-1-yl 2,3-difluorophenyl ether 99%

Benzene, 1-butoxy-2,3-difluoro-But-1-yl 2,3-difluorophenyl etherSCHEMBL4278894-butoxy-2,3-difluorobenzene1-Butoxy-5,6-difluorobenzeneSCHEMBL9865813SBB090399AKOS015890364

데이터베이스 식별자

CAS: 136239-66-2
PubChem CID: 2782939
DTXSID: DTXSID70382365
EC Number: 446-810-1、603-949-4

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 141

실험 및 물리화학적 성질

PFASPFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds

물리화학적 성질

끓는 점: 110 °C/20mmHg · 110°C/20mmHg(lit.)
밀도: 1.086 · 1.086±0.06 g/cm3(Predicted)
증기압: 24 Pa · 24Pa at 25℃
굴절률: 1.465 to · 1.4650 to 1.4690
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
물리적 상태: 액체
색상: 무색의
수용성: 2.8 mg/L · 2.8mg/L at 20℃
InChI: InChI=1S/C10H12F2O/c1-2-3-7-13-9-6-4-5-8(11)10(9)12/h4-6H,2-3,7H2,1H3
InChIKey: HYDIPEHDSUNHPA-UHFFFAOYSA-N
SMILES: C1(OCCCC)=CC=CC(F)=C1F
LogP: 4 at · 4 at 25℃

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]