3,4-디메톡시벤질클로라이드

Veratryl chloride

HCID 81740CAS 7306-46-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(CCl)cc1OC
InChIKey: WWHJLVMBXXXUFO-UHFFFAOYSA-N
분자식: C9H11ClO2
평균 분자량: 186.63 g/mol
단동위원소 질량: 186.0447573

이름 및 식별자

우선 이름: Veratryl chloride
IUPAC: 4-(chloromethyl)-1,2-dimethoxybenzene
현지명: 3,4-디메톡시벤질클로라이드
영어명: 3,4-Dimethoxybenzyl chloride
분자식: C9H11ClO2
분자량: 186.64

이름 및 동의어

7306-46-94-(Chloromethyl)-1,2-dimethoxybenzeneVeratryl chlorideBenzene, 4-(chloromethyl)-1,2-dimethoxy-4-(Chloromethyl)-1,2-dimethoxy benzene98LR9N3ETZDTXSID00223338RefChem:97394DTXCID00145829230-756-93,4-Dimethoxybenzyl chloride3,4-Dimethoxybenzylchloride

이름 더 보기

3,4-디메톡시벤질클로라이드DMBClVeratveratrylchloridveratrylchlorideVerapamil Impurity 24Verapamil Impurity 27

MFCD00185554alpha-Chloro-3,4-dimethoxytoluene4-(chloromethyl)-1,2-dimethoxy-benzeneVeratryl chloridVeratryl chlorid [German]3,4-Bis(methoxy)-benzyl chlorideEINECS 230-756-9BRN 0973727

데이터베이스 식별자

CAS: 7306-46-9
PubChem CID: 81740
DTXSID: DTXSID00223338
UNII: 98LR9N3ETZ
EC Number: 230-756-9
Nikkaji: J15.028B

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 130

물리화학적 성질

녹는점: 50 · 50-53 °C(lit.)
끓는 점: 266.98 °C · 266.98°C (rough estimate)
밀도: 1.1631 · 1.1631 (rough estimate)
굴절률: 1.508 · 1.5080 (estimate)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C9H11ClO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6H2,1-2H3
InChIKey: WWHJLVMBXXXUFO-UHFFFAOYSA-N
SMILES: C1(OC)=CC=C(CCl)C=C1OC

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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.