4-Ethoxybenzoyl Chloride

HCID 140059CAS 16331-46-7

기본 정보

표준 SMILES: CCOc1ccc(C(=O)Cl)cc1
InChIKey: XLWQUESMILVIPR-UHFFFAOYSA-N
분자식: C9H9ClO2
평균 분자량: 184.62 g/mol
단동위원소 질량: 184.0291072

이름 및 식별자

우선 이름: 4-Ethoxybenzoyl Chloride
IUPAC: 4-ethoxybenzoyl chloride
영어명: 4-Ethoxybenzoyl chloride
분자식: C9H9ClO2
분자량: 184.62

이름 및 동의어

4-Ethoxybenzoyl chloride16331-46-7p-Ethoxybenzoyl chlorideDTXSID40167565RefChem:98839DTXCID9090056605-323-6XLWQUESMILVIPR-UHFFFAOYSA-N4-ethoxybenzoylchlorideBenzoyl chloride, 4-ethoxy-p-ethoxy benzoyl chloride4-Ethoxy-benzoyl chloride

이름 더 보기

SKL1278NISTC163314674-Ethoxybenzoyl chlo4-EthoxybenzoylChloro4-EthoxybenzoylChloride>4-ETHYLOXYBENZOYL CHLORIDE4-ETHOXYBENZOYL CHLORIDE 98%

MFCD000006884-ethyloxybenzoyl chloridepara-ethoxybenzoyl chlorideSCHEMBL2756464-Ethoxybenzoyl chloride, 98%Sildenafil Impurity 187A810467SCHEMBL27526581

데이터베이스 식별자

CAS: 16331-46-7
PubChem CID: 140059
DTXSID: DTXSID40167565
EC Number: 605-323-6
Nikkaji: J32.749B

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 22 °C · 22 °C
끓는 점: 142 · 142-145 °C20 mm Hg(lit.)
밀도: 1.2 · 1.2
굴절률: 20 · n20/D 1.5672(lit.)
인화점: 230 °F · >230 °F
물리적 상태: 액체 또는 LMS
Specific Gravity: 1.2 · 1.20
색상: 무색~노란색 또는 흰색~노란색
InChI: 1S/C9H9ClO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3
InChIKey: XLWQUESMILVIPR-UHFFFAOYSA-N
SMILES: CCOc1ccc(cc1)C(Cl)=O
NIST: 4 · 4-Ethoxybenzoyl chloride(16331-46-7)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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.