4-클로로-2-메톡시벤잘데하이드

4-Chloro-2-methoxybenzaldehyde

HCID 13865115

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 53581-86-5
표준 SMILES: COc1cc(Cl)ccc1C=O
InChIKey: IVBZHFWJBYTRNG-UHFFFAOYSA-N
분자식: C8H7ClO2
평균 분자량: 170.59 g/mol
단동위원소 질량: 170.0134572

이름 및 식별자

우선 이름: 4-Chloro-2-methoxybenzaldehyde
IUPAC: 4-chloro-2-methoxybenzaldehyde
현지명: 4-클로로-2-메톡시벤잘데하이드
영어명: 4-Chloro-2-methoxybenzaldehyde
분자식: C8H7ClO2
분자량: 170.59

이름 및 동의어

4-chloro-2-methoxybenzaldehyde53581-86-5DTXSID40551506RefChem:291518DTXCID40502290803-893-2MFCD087033554-Chloro-2-methoxy-benzaldehyde4-Chloro-1-formyl-2-methoxybenzeneSCHEMBL15702104-chloro1-formyl-2-methoxybenzeneCL9241

이름 더 보기

4-클로로-2-메톡시벤잘데하이드2-Methoxy-4-chlorbenzaldehyd2-Methoxy-4-chlorobenzaldehydeBenzaldehyde, 4-chloro-2-methoxy-4-Fluoro-4-(trifluoromethyl)phenacyl bromide

AMY161104-Chloro-2-methoxybenzaldSCHEMBL4392239DCA581864-Chloro-2-methoxybenzaldehyde, 96%AKOS009088093CS-W019440AC-26804

데이터베이스 식별자

CAS: 53581-86-5
PubChem CID: 13865115
DTXSID: DTXSID40551506
EC Number: 803-893-2
Nikkaji: J3.490.727G

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 70 · 70-75°C
끓는 점: 268.8 · 268.8±20.0 °C(Predicted)
밀도: 1.244 · 1.244±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: solid
InChI: 1S/C8H7ClO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
InChIKey: IVBZHFWJBYTRNG-UHFFFAOYSA-N
SMILES: COc1cc(Cl)ccc1C=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P280, P302+P352, P317, P321, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.