Methyl 5-chloro-2-methoxybenzoate

HCID 118574

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 33924-48-0
표준 SMILES: COC(=O)c1cc(Cl)ccc1OC
InChIKey: HPTHYBXMNNGQEF-UHFFFAOYSA-N
분자식: C9H9ClO3
평균 분자량: 200.62 g/mol
단동위원소 질량: 200.02402183

이름 및 식별자

우선 이름: Methyl 5-chloro-2-methoxybenzoate
IUPAC: methyl 5-chloro-2-methoxybenzoate
영어명: Methyl 5-chloro-2-methoxybenzoate
분자식: C9H9ClO3
분자량: 200.62

이름 및 동의어

Methyl 5-chloro-2-methoxybenzoateBenzoic acid, 5-chloro-2-methoxy-, methyl esterEINECS 251-743-4RefChem:817004251-743-433924-48-0Methyl 5-Chloro-o-anisate4-Chloro-2-(methoxycarbonyl)anisole5-Chloro-2-methoxybenzoic acid methyl esterDTXSID8057720MFCD00017511Methyl 5-choro-2-methoxybenzoate

이름 더 보기

Methyl-5-chlor-2-methoxybenzoatMethhyl 5-Chloro-2-methoxybenzoateMETHYL(2-METHOXY-5-CHLORO) BENZOATEMethyl 5-chloro-2-methoxybenzoate,99%Methyl 5-Chloro-2-methoxybenzoate >

Methyl-5-chloro-2-methoxybenzoateDTXCID5031509methyl 5-chloro-2-methoxy-benzoateSR-01000944765SR-01000944765-15-Chloro-2-methoxy-benzoicAcidMethylEster-13C2,d65-Chloro-o-anisic Acid Methyl Ester5-chloro-2-methoxy-benzoic acid methyl ester

데이터베이스 식별자

CAS: 33924-48-0
PubChem CID: 118574
DTXSID: DTXSID8057720
ChEMBL: CHEMBL3188482
UNII: AU3X59V4WD
EC Number: 251-743-4
Nikkaji: J287.826G

물성

구조 계산 물성

XLogP: 3.4
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: 184

물리화학적 성질

녹는점: 150 · 150-152 °C
끓는 점: 235 · 235-240 °C(lit.)
밀도: 1.259 g/mL · 1.259 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5466(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
BRN: 2719088 · 2719088

화학적 성질

White to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.