3-메톡시카테콜

3-Methoxycatechol

HCID 13622CAS 934-00-9
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기본 정보

표준 SMILES
COc1cccc(O)c1O
InChIKey
LPYUENQFPVNPHY-UHFFFAOYSA-N
분자식
C7H8O3
평균 분자량
140.14 g/mol
단동위원소 질량
140.04734412

개요

3-methoxycatechol is a member of the class of catechols that is catechol in which a hydrogen that is ortho to one of the hydroxy groups has been replaced by a methoxy group. It displays agonistic activity against G protein-coupled receptor 35 (GPR35). It has a role as a G-protein-coupled receptor agonist. It is a member of catechols and an aromatic ether. It is functionally related to a pyrogallol.

이름 및 식별자

우선 이름
3-Methoxycatechol
IUPAC
3-methoxybenzene-1,2-diol
현지명
3-메톡시카테콜
영어명
3-METHOXYCATECHOL
분자식
C7H8O3
분자량
140.14

이름 및 동의어

3-METHOXYCATECHOL3-methoxybenzene-1,2-diol934-00-93-Methoxypyrocatechol2,3-Dihydroxyanisole1,2-Dihydroxy-3-methoxybenzene6-MethoxycatecholPyrogallol 1-methyl ether1,2-Benzenediol, 3-methoxy-Pyrocatechol, 3-methoxy-Pyrogallol 1-monomethyl ether1-O-Methylpyrogallol
이름 더 보기
3-메톡시카테콜3-methocycatecholNSC 66525AKOS 233-073-Methoxycatechol>3-Methoxycatechol,99%
DTXSID4020826DTXCID00826IC13U5393CNSC-66525CHEBI:141700RefChem:503246213-276-43-Methoxy-1,2-benzenediol

데이터베이스 식별자

CAS
934-00-9
PubChem CID
13622
DTXSID
DTXSID4020826
ChEMBL
CHEMBL1518159
ChEBI
CHEBI:141700
UNII
IC13U5393C
EC Number
213-276-4
Nikkaji
J107.379F

물성

구조 계산 물성

XLogP
0.8
극성 표면적
49.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
10

실험 및 물리화학적 성질

Ionization Efficiency · 6건

Positive

0.79

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Collision Cross Section · 2건

124.48 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

124.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
38 · 38-43 °C (lit.)
끓는 점
146 · 146-147 °C/15 mmHg (lit.)
밀도
1.27 · 1.270
굴절률
1.4638 · 1.4638 (estimate)
인화점
230 °F · >230 °F
저장 조건
30 °C · Store below +30°C.

화학적 성질

SLIGHTLY BEIGE TO LIGHT BROWN CRYSTALLINE SOLID

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

유해성 정보

Regulatory Information3-Methoxycatechol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
rtecs
CZ9002750
HS 번호
29095000
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

응용 분야

용도3-Methoxycatechol is used to prepare polyphenolic deoxybenzoins as potential antioxidants and tyrosinase inhibitors.

상·하류 제품 정보

공급사50 곳

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]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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