2,6-디메톡시벤조일클로라이드

2,6-Dimethoxybenzoyl chloride

HCID 74810CAS 1989-53-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cccc(OC)c1C(=O)Cl
InChIKey: NDXRPDJVAUCBOH-UHFFFAOYSA-N
분자식: C9H9ClO3
평균 분자량: 200.62 g/mol
단동위원소 질량: 200.02402183

이름 및 식별자

우선 이름: 2,6-Dimethoxybenzoyl chloride
IUPAC: 2,6-dimethoxybenzoyl chloride
현지명: 2,6-디메톡시벤조일클로라이드
영어명: 2,6-Dimethoxybenzoyl chloride
분자식: C9H9ClO3
분자량: 200.62

이름 및 동의어

2,6-Dimethoxybenzoyl chloride1989-53-3Benzoyl chloride, 2,6-dimethoxy-2,6-Dimethoxybenzoic acid chloride9VD6YG0B0CEINECS 217-868-3DTXSID1062099RefChem:445628DTXCID0036180217-868-326-Dimethoxybenzoyl chlorideMFCD00000665

이름 더 보기

2,6-디메톡시벤조일클로라이드AKOS BBS-000039172,6-DimethoxybenzoyL2,6-dimethoxy-benzoylchlorid2,6-Dimethoxybenzoyl chloride,95%2,6-Dimethoxybenzoyl chloride, 98+%2,6-DIMETHOXYBENZOYL CHLORIDE, TECH., 80%2,6-DiMethoxybenzoyl chloride 80%, technical grade

UNII-9VD6YG0B0C2,6dimethoxybenzoyl chloride2,6-DimethoxybenzoylchlorideSCHEMBL1046672,6-dimethoxylbenzoyl chloride2,6-dimethoxy benzoyl chloride2,6-Dimethoxy-benzoyl chlorideSTR03400

데이터베이스 식별자

CAS: 1989-53-3
PubChem CID: 74810
DTXSID: DTXSID1062099
UNII: 9VD6YG0B0C
EC Number: 217-868-3
Nikkaji: J32.751D

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 64 · 64-66 °C(lit.)
끓는 점: 125 · 125-132 °C(Press: 0.2 Torr)
밀도: 1.224 · 1.224±0.06 g/cm3(Predicted)
BRN: 881245 · 881245
InChI: 1S/C9H9ClO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3
InChIKey: NDXRPDJVAUCBOH-UHFFFAOYSA-N
SMILES: COc1cccc(OC)c1C(Cl)=O
EPA: 2 · Benzoyl chloride, 2,6-dimethoxy- (1989-53-3)

화학적 성질

white to beige crystalline powder or chunks

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.