Methyl 4-(chlorocarbonyl)benzoate (HCID 81850)

이름 및 식별자

우선 이름: Methyl 4-(chlorocarbonyl)benzoate
IUPAC: methyl 4-carbonochloridoylbenzoate
영어명: Methyl 4-chlorocarbonylbenzoate
분자식: C9H7ClO3
분자량: 198.6

이름 및 동의어

7377-26-6Methyl 4-(chlorocarbonyl)benzoateMethyl 4-(chloroformyl)benzoateBenzoic acid, 4-(chlorocarbonyl)-, methyl esterEINECS 230-937-2DTXSID90224137RefChem:157567DTXCID90146628230-937-2Methyl 4-chlorocarbonylbenzoateTerephthalic Acid Monomethyl Ester Chloride4-(Chlorocarbonyl)benzoic acid methyl ester

이름 더 보기

CL-MMTSKL743TIMTEC-BB SBB005801METHYL 4-CHLOROFORMYLBENZOATE4-CARBOMETHOXYBENZOYL CHLORIDEP-carbomethoxybenzoyl chlorideMethy 4-chlorocarbonyl benzoateMethyl terephthaloyl chlorideMethyl p-(Chlorocarbonyl)benzoate

MFCD00059486methyl 4-carbonochloridoylbenzoate4-Chlorocarbonylbenzoic acid methyl estermethyl 4-chlorocarbonyl benzoate4-(Chloroformyl)benzoic Acid Methyl Estermethyl4-(chlorocarbonyl)benzoatemethyl 4-(carboxy)benzoate4-carbomethoxybenzoylchloride

데이터베이스 식별자

CAS: 7377-26-6
PubChem CID: 81850
DTXSID: DTXSID90224137
EC Number: 230-937-2
Nikkaji: J33.491J

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 207

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 50 · 50-59 °C
끓는 점: 140 °C · 140 °C / 15mmHg
밀도: 1.3219 · 1.3219 (rough estimate)
굴절률: 1.523 · 1.5230 (estimate)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 가수 분해
물리적 상태: 결정성 분말
색상: 황백색에서 밝은 노란색까지
수용성: 가수 분해
InChI: InChI=1S/C9H7ClO3/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3
InChIKey: CVXXHXPNTZBZEL-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(C(Cl)=O)C=C1

화학적 성질

slight yellow to white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (95.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.5%)

안전 데이터

wgk: 3
ridadr: 3261
HS 번호: 29173990
risk_code: 34-22
hazard_code: C
safety_code: 24/25-45-36/37/39-26
포장분류: Ⅲ
위험 등급: 8
기존화학 물질: KE-23676
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도4-(Chlorocarbonyl)benzoic Acid Methyl Ester, is a building block, that can be used for the synthesis of various pharmaceutical compounds. It can be used for the preparation of benzophenone residues and also for the synthesis of novel novel bulky hydrophobic retinoids.