메틸3-클로로-4-METHOXYBENZOATE

Methyl 3-chloro-p-anisate

HCID 123469CAS 37908-98-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccc(OC)c(Cl)c1
InChIKey: PINQDVFQCCFACD-UHFFFAOYSA-N
분자식: C9H9ClO3
평균 분자량: 200.62 g/mol
단동위원소 질량: 200.02402183

이름 및 식별자

우선 이름: Methyl 3-chloro-p-anisate
IUPAC: methyl 3-chloro-4-methoxybenzoate
현지명: 메틸3-클로로-4-METHOXYBENZOATE
영어명: Methyl 3-chloro-4-methoxybenzoate
분자식: C9H9ClO3
분자량: 200.62

이름 및 동의어

Methyl 3-chloro-4-methoxybenzoate37908-98-8Methyl 3-chloro-p-anisate3-CHLORO-4-METHOXYBENZOIC ACID METHYL ESTER98MMD5668REINECS 253-709-4DTXSID401913453-Cl-4-CH3O-C6H3-COOCH3RefChem:157466DTXCID50113836253-709-4PINQDVFQCCFACD-UHFFFAOYSA-N

이름 더 보기

메틸3-클로로-4-METHOXYBENZOATECOOCH3=1RARECHEM AL BF 0700Methylparaben Impurity 19Tetrahydrozoline Impurity 5Tetrahydrozoline Impurity 1-E3-Chloro-p-anisicacidmethylesterMETHYL-4-METHOXY-3-CHLOROBENZOATE3-chloro-4-methoxymethyl benzoate

MFCD00017188Benzoic acid, 3-chloro-4-methoxy-, methyl esterMethyl3-chloro-4-methoxybenzoateMethyl-3-chlor-anisatUNII-98MMD5668RSCHEMBL1637523CHEMBL2252255SCHEMBL31296522

데이터베이스 식별자

CAS: 37908-98-8
PubChem CID: 123469
DTXSID: DTXSID40191345
ChEMBL: CHEMBL2252255
UNII: 98MMD5668R
EC Number: 253-709-4
Nikkaji: J261.267D

물성

구조 계산 물성

XLogP: 2.6
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: 184

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 93 · 93-97 °C
끓는 점: 289 · 289.0±20.0 °C(Predicted)
밀도: 1.228 · 1.228±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
BRN: 2365816 · 2365816

화학적 성질

white to light yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.