2,6-다이하이드록시벤조 산

2,6-Dihydroxybenzoic Acid

HCID 9338CAS 303-07-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)c1c(O)cccc1O
InChIKey
AKEUNCKRJATALU-UHFFFAOYSA-N
분자식
C7H6O4
평균 분자량
154.12 g/mol
단동위원소 질량
154.02660867

개요

2,6-dihydroxybenzoic acid is a dihydroxybenzoic acid having the two hydroxy groups at the C-2 and C-6 positions. It has a role as a metabolite. It is a dihydroxybenzoic acid and a monocarboxylic acid. It is a conjugate acid of a 2,6-dihydroxybenzoate.

이름 및 식별자

우선 이름
2,6-Dihydroxybenzoic Acid
IUPAC
2,6-dihydroxybenzoic acid
현지명
2,6-다이하이드록시벤조 산
영어명
2,6-Dihydroxybenzoic acid
분자식
C7H6O4
분자량
154.12

이름 및 동의어

2,6-DIHYDROXYBENZOIC ACID303-07-1gamma-Resorcylic acidBenzoic acid, 2,6-dihydroxy-2-Carboxyresorcinol6-Hydroxysalicylic acid2,6-Resorcylic acidRSA5G6VRPVNSC-49172DTXSID1059785CHEBI:68465RefChem:445582
이름 더 보기
2,6-다이하이드록시벤조산2,6-다이하이드록시벤조산2,6-dihydroxybenzoatensc491722,6-DihydroxylG-RESORCYLIC ACIDgama-Resorcylic acid2,6-Dihydroxybenzoic6-hydroxysalicylicacid
DTXCID6038164206-134-82,6-dihydroxy benzoic acid.gamma.-Resorcylic acidMFCD000024622,6-DihydroxybenzoesaeureNSC 491722,6-dihydroxy-benzoic acid

데이터베이스 식별자

CAS
303-07-1
PubChem CID
9338
DTXSID
DTXSID1059785
ChEMBL
CHEMBL454808
ChEBI
CHEBI:68465
UNII
RSA5G6VRPV
EC Number
206-134-8
Nikkaji
J5.486K

물성

구조 계산 물성

XLogP
2.2
극성 표면적
77.8 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzoic Acid Derivatives
LogP2.20
Solubility9.56 mg/mL
Melting Point165 °C
Physical Description · 2건

Off-white chunks; [Alfa Aesar MSDS]

Solid

물리화학적 성질

녹는점
165 °C · 165 °C (dec.) (lit.)
끓는 점
237.46 °C · 237.46°C (rough estimate)
밀도
1.3725 · 1.3725 (rough estimate)
굴절률
1.64 · 1.6400 (estimate)
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
용해도
25 g/L · 25g/L

화학적 성질

Off-white crystalline powder

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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzoic acid, 2,6-dihydroxy-

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

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
DG8578000
HS 번호
29182990
risk_code
36/37/38
hazard_code
Xi

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

UsesSynthetic Polymer MALDI Matrix Compounds
General Manufacturing InformationBenzoic acid, 2,6-dihydroxy-: ACTIVE

응용 분야

용도6-Hydroxysalicylic Acid, is used in biological studies to evaluate the microbial metabolism of various sources of polyphenols in colon area.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥瑞洛新材料科技有限公司19567218739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

추가 설명

정의ChEBI: A dihydroxybenzoic acid having the two hydroxy groups at the C-2 and C-6 positions.

관련 반응

17건
반응 기록 만들기

연결된 노트

불러오는 중…