Methyl 4-chlorobenzoate (HCID 14307)

이름 및 식별자

우선 이름: Methyl 4-chlorobenzoate
IUPAC: methyl 4-chlorobenzoate
영어명: Methyl 4-chlorobenzoate
분자식: C8H7ClO2
분자량: 170.59

이름 및 동의어

Methyl 4-chlorobenzoate1126-46-14-Chlorobenzoic acid methyl esterMETHYL P-CHLOROBENZOATEBenzoic acid, 4-chloro-, methyl esterBenzoic acid, p-chloro-, methyl esterNSC 8366p-chlorobenzoic acid methyl esterUNII-M0U80J80VAEINECS 214-420-9AI3-23578M0U80J80VA

이름 더 보기

orobenzoateChlorophenyl MethylRARECHEM AL BF 0077METHYL 4-CHLOROBENZODecitabine Impurity DDecitabine Impurity 42Decitabine Impurity DCY

methyl-p-chlorobenzoateNSC-8366Methyl ester of p-chlorobenzoic acid4-(METHOXYCARBONYL)CHLOROBENZENEDTXSID50221484-CARBOMETHOXYPHENYL CHLORIDE5-CHLORO-2-BENZOIC ACID METHYL ESTERRefChem:157606

데이터베이스 식별자

CAS: 1126-46-1
PubChem CID: 14307
DTXSID: DTXSID5022148
UNII: M0U80J80VA
EC Number: 214-420-9
Nikkaji: J47.050C

물성

구조 계산 물성

XLogP: 2.8
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: 139

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP2.76

물리화학적 성질

녹는점: 42 · 42-44 °C (lit.)
끓는 점: 136 · 136-137°C 10mm
밀도: 1 · 1,382 g/cm3
굴절률: 1.58 · 1.5800 (estimate)
인화점: 224 °F · 224 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 회백색
Merck: 14 · 14,2125
BRN: 1564310 · 1564310
InChI: 1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey: LXNFVVDCCWUUKC-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(Cl)cc1
LogP: 2.87 · 2.870
EPA: 4 · Benzoic acid, 4-chloro-, methyl ester (1126-46-1)

화학적 성질

COLOURLESS TO WHITE CRYSTALS

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Benzoic acid, 4-chloro-, methyl ester

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29163990
risk_code: 36/37/38
safety_code: 24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 4-chloro-, methyl ester: ACTIVE

응용 분야 · 2건

용도Methyl 4-chlorobenzoate was used in quantitative determination of chlorophenoxyisobutyrate (CPIB) and salicylic acid, the metabolites of clofibrate and aspirin, by GC-MS method.

일반 설명Methyl 4-chlorobenzoate undergoes room temperature Pd-mediated hydrodehalogenation with KF and polymethylhydrosiloxane (PMHS) to yield methyl benzoate. It undergoes Suzuki-Miyaura coupling reaction with phenylboronic acid in the presence of bis-carbene palladium complex catalyst to yield methyl-(4-phenyl)-benzoate.

상·하류 제품 정보

상류 원료

Benzamide, 4-chloro-N-methoxy-4-클로로-N,N-디메틸벤즈아미드 4-Chlorobenzyl alcohol 1-(4-Chlorophenyl)ethanol 4-클로로벤자닐리드

하류 제품

1,2,3-벤조티아디아졸-5-카르복실산 4-Chlorobenzoylacetonitrile Sodium p-chlorobenzoate 4-(부틸아미노)-벤조산,메틸에스테르 3-(4-클로로페닐)-1H-피라졸-5-아민 Methyl 4-vinylbenzoate Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 3-amino-1-(4-chlorophenyl)propan-1-ol 4-클로로-Nn-헥실벤자미드

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

연결된 노트

불러오는 중…

Methyl 4-chlorobenzoate

기본 정보