3,4-디플루오로벤질알코올

3,4-Difluorobenzyl alcohol

HCID 522833CAS 85118-05-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCc1ccc(F)c(F)c1
InChIKey: GNQLTCVBSGVGHC-UHFFFAOYSA-N
분자식: C7H6F2O
평균 분자량: 144.12 g/mol
단동위원소 질량: 144.03867125

이름 및 식별자

우선 이름: 3,4-Difluorobenzyl alcohol
IUPAC: (3,4-difluorophenyl)methanol
현지명: 3,4-디플루오로벤질알코올
영어명: 3,4-Difluorobenzyl alcohol
분자식: C7H6F2O
분자량: 144.12

이름 및 동의어

3,4-Difluorobenzyl alcohol85118-05-4DTXSID60234243EINECS 285-657-3RefChem:486036DTXCID60156734285-657-3(3,4-Difluorophenyl)methanolBenzenemethanol, 3,4-difluoro-MFCD00010628(3,4-difluoro-phenyl)-methanolSCHEMBL93021

이름 더 보기

3,4-디플루오로벤질알코올디플로로벤질(3,4-)알코올3,4-다이플루오로벤질 알코올RARECHEM AL BD 02153,4-Difluorobenzyl a3-Difluorobenzylalcohol3,4-Difluorobenzenemethanol3,4-Difluorobenzylalcohol98%3,4-Difluorobenzyl alcohol,99%3,4-Difluorobenzyl alcohol 98%

(3,4-difluoro phenyl)methanol(3,4-Difluorophenyl)methanol #3,4-Difluorobenzyl alcohol, 99%CK2477AKOS000249584PS-8985D2415(3,4-difluorophenyl)methan-1-ol

데이터베이스 식별자

CAS: 85118-05-4
PubChem CID: 522833
DTXSID: DTXSID60234243
EC Number: 285-657-3
Nikkaji: J307.997J

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

물리화학적 성질

끓는 점: 101.45 °C · 101.45°C (rough estimate)
밀도: 1.262 g/mL · 1.262 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.49(lit.)
인화점: 208 °F · 208 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 13 · 13+-.0.10(Predicted)
Specific Gravity: 1.262 · 1.262
색상: Colorless to Red to Green
BRN: 9043426 · 9043426
InChI: InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChIKey: GNQLTCVBSGVGHC-UHFFFAOYSA-N
SMILES: C1(CO)=CC=C(F)C(F)=C1
NIST: 3 · Benzenemethanol, 3,4-difluoro-(85118-05-4)

화학적 성질

Clear colorless to very light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.