CAS 83282-91-1 4-Methoxymethyl-2,3,5,6-tetrafluorobenzyl alcohol (HCID 11172116)

기본 정보

CAS: 83282-91-1
표준 SMILES: COCc1c(F)c(F)c(CO)c(F)c1F
InChIKey: YFHZSPDQKWFAPH-UHFFFAOYSA-N
분자식: C9H8F4O2
평균 분자량: 224.15 g/mol
단동위원소 질량: 224.04604214

이름 및 식별자

우선 이름: 4-Methoxymethyl-2,3,5,6-tetrafluorobenzyl alcohol
IUPAC: [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol
현지명: 4-메톡시메틸-2,3,5,6-테트라플루오로벤질알코올
영어명: 4-Methoxymethyl-2,3,5,6-tetrafluorobenzyl alcohol
분자식: C9H8F4O2
분자량: 224.15

이름 및 동의어

83282-91-14-Methoxymethyl-2,3,5,6-tetrafluorobenzyl alcoholRefChem:524784846-804-2(2,3,5,6-Tetrafluoro-4-(methoxymethyl)phenyl)methanol[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol4-Methoxymethyl-2,3,5,6-tetrafluorobenzenemethanol2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl alcoholMFCD086880602,3,5,6-Tetrafluoro-4-(methoxymethyl)-benzenemethanol; 2,3,5,6-Tetrafluoro-4-(methoxymethyl)benzyl Alcohol4-Methoxy-2Benzenemethanol, 2,3,5,6-tetrafluoro-4-(methoxymethyl)-

이름 더 보기

4-메톡시메틸-2,3,5,6-테트라플루오로벤질알코올4-MethoxymetTetrafluoromethoxybenzylalcohol(2,3,5,6-Tetrafluoro-4-(methoxymethyl)Tetrafluoro methoxymethyl benzyl alcohol4-Methoxymethyl-2,3,5,6-Tetrafluorobenzyl4-Methoxymethyl-2,3,5,6-Tetrafluorobenzene2,3,5,6-Tetrafluoro-4-methoxybenzyl alcohol4-Methoxmethy-2，3，5，6tetratlucroberzenemethanc

6-tetrafluorobenzyl alcoholSCHEMBL359266SCHEMBL1900289DTXSID90457625SBB063325AKOS015852458AC-8278AS-11390

데이터베이스 식별자

CAS: 83282-91-1
PubChem CID: 11172116
DTXSID: DTXSID90457625
EC Number: 846-804-2
Nikkaji: J1.797.221I

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 189

물리화학적 성질

녹는점: 51 · 51-53°C
끓는 점: 214 · 214 ºC
밀도: 1.407 · 1.407
인화점: 107 · 107 ºC
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 12.85 · 12.85±0.10(Predicted)
색상: 하얀색
InChI: InChI=1S/C9H8F4O2/c1-15-3-5-8(12)6(10)4(2-14)7(11)9(5)13/h14H,2-3H2,1H3
InChIKey: YFHZSPDQKWFAPH-UHFFFAOYSA-N
SMILES: C1(CO)=C(F)C(F)=C(COC)C(F)=C1F

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Sens. 1 (50%)；Eye Irrit. 2 (100%)

안전 데이터

HS 번호: 2906290090
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도4-Methoxymethyl-2,3,5,6-tetrafluorobenzyl Alcohol is used as a reagent in the synthesis of Metofluthrin; a potent new synthetic pyrethroid with high vapor activity against mosquitos.