2,6-Dimethoxybenzoic Acid

HCID 15109CAS 1466-76-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1cccc(OC)c1C(=O)O
InChIKey
MBIZFBDREVRUHY-UHFFFAOYSA-N
분자식
C9H10O4
평균 분자량
182.17 g/mol
단동위원소 질량
182.0579088

개요

2,6-Dimethoxybenzoic acid is a member of benzenes and a carbonyl compound.

이름 및 식별자

우선 이름
2,6-Dimethoxybenzoic Acid
IUPAC
2,6-dimethoxybenzoic acid
영어명
2,6-Dimethoxybenzoic acid
분자식
C9H10O4
분자량
182.17

이름 및 동의어

2,6-DIMETHOXYBENZOIC ACID1466-76-8Benzoic acid, 2,6-dimethoxy-DTXSID4046999G6B3P1LO43NSC-28591DTXCID2026999RefChem:445626215-985-42,6-dimethoxy-benzoic acidMFCD000024372,6-Dimethoxybenzoicacid
이름 더 보기
AKOS BBS-00003742RARECHEM AL BO 1076Novobiocin Impurity 42,6-dimethoxy-benzoicaci2,6-DimethoxybenzoicAcid>2,6-Dimethoxybenzoic acid,99%γ-Resorcylic acid diMethyl ether
NSC 28591CHEMBL488609benzoicacid,2,6-dimethoxy-EINECS 215-985-4UNII-G6B3P1LO43NSC285912,6-dimethoxybenzoicBenzoic acid,6-dimethoxy-

데이터베이스 식별자

CAS
1466-76-8
PubChem CID
15109
DTXSID
DTXSID4046999
ChEMBL
CHEMBL488609
ChEBI
CHEBI:89493
UNII
G6B3P1LO43
EC Number
215-985-4
Nikkaji
J136.394H

물성

구조 계산 물성

XLogP
0.7
극성 표면적
55.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
13

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzoic Acid Derivatives
SpringerMaterials PropertiesBoiling point
LogP · 2건

0.66

0.95

Melting Point186 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
185 · 185-187 °C (lit.)
끓는 점
275.56 °C · 275.56°C (rough estimate)
밀도
1.2481 · 1.2481 (rough estimate)
굴절률
1.45 · 1.4500 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
14.7 g/l · 14.7g/l 에 용해됨

화학적 성질

white to off-white crystalline powder. Hardly soluble in water, soluble in alkali and organic solvents, such as benzene and toluene.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (94.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 104 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: No longer Valid Update: 12-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18799

Benzoic acid, 2,6-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (94.2%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
DG8598725
HS 번호
29189010
risk_code
36/37/38-22
hazard_code
Xi,Xn

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

General Manufacturing InformationBenzoic acid, 2,6-dimethoxy-: ACTIVE

응용 분야

용도2,6-Dimethoxybenzoic Acid is used in the synthesis of indoles as well as coumarins related to Novobiocin (N888500), used as potent inhibitors of heat-shock protein 90 in the treatment of breast cancer.

제조 방법 · 1건

2,6-Dimethoxybenzoic acid is the key intermediate in the preparation of gamma-resorcylic acid which has been described as having activity against rheumatic fever.The Preparation of 2,6-Dimethoxybenzoic AcidCite this: J. Org. Chem. 1956, 21, 3, 368–369Publication Date:March 1, 1956https://doi.org/10.1021/jo01109a604

상·하류 제품 정보

공급사50 곳

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