2-Chloro-6-fluorobenzyl alcohol

HCID 91868CAS 56456-50-9

기본 정보

표준 SMILES: OCc1c(F)cccc1Cl
InChIKey: ZZFCUESFXBCRSC-UHFFFAOYSA-N
분자식: C7H6ClFO
평균 분자량: 160.57 g/mol
단동위원소 질량: 160.00912071

이름 및 식별자

우선 이름: 2-Chloro-6-fluorobenzyl alcohol
IUPAC: (2-chloro-6-fluorophenyl)methanol
영어명: 2-Chloro-6-fluorobenzyl alcohol
분자식: C7H6ClFO
분자량: 160.57

이름 및 동의어

2-Chloro-6-fluorobenzyl alcohol56456-50-9(2-Chloro-6-fluorophenyl)methanol2-fluoro-6-chlorobenzyl alcoholBenzenemethanol, 2-chloro-6-fluoro-2-Chloro-6-fluorobenzylic alcohol5K0SC480HMZZFCUESFXBCRSC-UHFFFAOYSA-DTXSID30205006EINECS 260-192-9RefChem:469635DTXCID90127497

이름 더 보기

RARECHEM AL BD 0020LABOTEST-BB LT000534622-Fluoro-6-chlorobenzylalcohol6-FLUORO-2-CHLOROBENZYL ALCOHOL2-Chloro-6-fluorobenzylalcohol97%2-Chloro-6-fluorobenzyl Alcohol >2-Chloro-6-fluorobenzyl alcohol 97%

260-192-9InChI=1/C7H6ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H22-Chloro-6-fluorobenzylalcoholMFCD00004608UNII-5K0SC480HMCK2440AKOS000249061CS-W016150

데이터베이스 식별자

CAS: 56456-50-9
PubChem CID: 91868
DTXSID: DTXSID30205006
UNII: 5K0SC480HM
EC Number: 260-192-9
Nikkaji: J340I

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

녹는점: 40 · 40-43 °C (lit.)
끓는 점: 160 °C · 160°C (rough estimate)
밀도: 1.278 · 1.2780 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 13.51 · 13.51±0.10(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 1938353 · 1938353
InChI: 1S/C7H6ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
InChIKey: ZZFCUESFXBCRSC-UHFFFAOYSA-N
SMILES: OCc1c(F)cccc1Cl
NIST: 2 · 2-Chloro-6-fluorobenzyl alcohol(56456-50-9)

화학적 성질

White crystalline solid

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 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.