Benzoic acid, 5-chloro-2-hydroxy-, methyl ester (HCID 77684)

개요

Methyl 5-chloro-2-hydroxybenzoate is a member of phenols and a benzoate ester. It is functionally related to a salicylic acid.

이름 및 식별자

우선 이름: Benzoic acid, 5-chloro-2-hydroxy-, methyl ester
IUPAC: methyl 5-chloro-2-hydroxybenzoate
영어명: Methyl 5-chloro-2-hydroxybenzoate
분자식: C8H7ClO3
분자량: 186.59

이름 및 동의어

Methyl 5-chloro-2-hydroxybenzoate4068-78-4Methyl 5-chlorosalicylateBenzoic acid, 5-chloro-2-hydroxy-, methyl esterM84L29Z8QRSalicylic acid, 5-chloro-, methyl esterEINECS 223-778-5NSC 85495NSC-85495DTXSID5063283RefChem:566119DTXCID3039797

이름 더 보기

BUTTPARK 34\07-98RARECHEM AL BF 0041oro-2-hydroxybenzoateLABOTEST-BB LT000336115-CHLORO METHYLSALICYLATEMethylparaben Impurity 47METHYL 5-CHLOROSALICYLATE 97%Methyl 2-hydroxy-5-chlorobenzoate

Salicylic acid, 5-chloro-, methyl ester (8CI)223-778-5MFCD00016461methyl 5-chloro-2-hydroxy-benzoate1794756-19-65-Chloro-2-hydroxy-benzoicAcidMethylEster-13C,d35-Chloro-2-hydroxy-benzoic Acid Methyl Ester-13C,d35-CHLORO-2-HYDROXYBENZOIC ACID METHYL ESTER

데이터베이스 식별자

CAS: 4068-78-4
PubChem CID: 77684
DTXSID: DTXSID5063283
ChEBI: CHEBI:194865
UNII: M84L29Z8QR
EC Number: 223-778-5
Nikkaji: J217.875C

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 46 · 46-50 °C(lit.)
끓는 점: 266.91 °C · 266.91°C (rough estimate)
밀도: 1.3245 · 1.3245 (rough estimate)
굴절률: 1.525 · 1.5250 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 9.31 · 9.31±0.18(Predicted)
물리적 상태: 고체
색상: 옅은 노랑
InChI: 1S/C8H7ClO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
InChIKey: KJWHRMZKJXOWFC-UHFFFAOYSA-N
SMILES: COC(=O)c1cc(Cl)ccc1O
EPA: 5 · Benzoic acid, 5-chloro-2-hydroxy-, methyl ester (4068-78-4)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Warning

H315 (97.7%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 31-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19631

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29182900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 5-chloro-2-hydroxy-, methyl ester: INACTIVE

응용 분야

용도Methyl 5-chlorosalicylate was used in the synthesis of N-p-methoxyphenylbenzimino-p-chloro-o-carbomethoxyphenyl ether.

일반 설명Methyl 5-chlorosalicylate on iodination yields 3-iodo-5-chlorosalicylate.

상·하류 제품 정보

상류 원료

하류 제품

Azasetron hydrochloride 5-클로로-2-하이드록시벤질알코올 메틸3-아미노-5-클로로-2-하이드록시벤조에이트 8-Carboxy-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine, 3,4-Dihydro-4-methyl-3-oxo-2H-benzo[b][1,4]oxazine-8-carboxylic acid

공급사50 곳

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

湖北成丰化工有限公司13125175253 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

연결된 노트

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Benzoic acid, 5-chloro-2-hydroxy-, methyl ester

기본 정보

개요