1,4-디하이드록시-2-나프토에산

1,4-Dihydroxy-2-naphthoic acid

HCID 671

기본 정보

CAS: 31519-22-9
표준 SMILES: O=C(O)c1cc(O)c2ccccc2c1O
InChIKey: VOJUXHHACRXLTD-UHFFFAOYSA-N
분자식: C11H8O4
평균 분자량: 204.18 g/mol
단동위원소 질량: 204.04225874

개요

1,4-dihydroxy-2-naphthoic acid is a naphthoic acid that is 2-naphthoic acid substituted by hydroxy groups at positions 1 and 4. It has a role as an Escherichia coli metabolite. It is a member of naphthalenediols, a naphthoic acid, a dihydroxy monocarboxylic acid and a naphthohydroquinone. It is functionally related to a 2-naphthoic acid. It is a conjugate acid of a 1,4-dihydroxy-2-naphthoate.

이름 및 식별자

우선 이름: 1,4-Dihydroxy-2-naphthoic acid
IUPAC: 1,4-dihydroxynaphthalene-2-carboxylic acid
현지명: 1,4-디하이드록시-2-나프토에산
영어명: 1,4-Dihydroxy-2-naphthoic acid
분자식: C11H8O4
분자량: 204.18

이름 및 동의어

1,4-Dihydroxy-2-naphthoic acid31519-22-91,4-Dihydroxynaphthalene-2-carboxylic acid1,4-Dihydroxy-2-naphthalenecarboxylic acidDTXSID00377301U77MR5Q7ODTXCID8017730CHEBI:18094RefChem:906982250-674-72-Naphthalenecarboxylic acid, 1,4-dihydroxy-MFCD00010370

이름 더 보기

1,4-다이하이드록시-2-나프토산1,4-디하이드록시-2-나프토에산1,4-디히드록시-2-나프토산1,4-다이하이드록시-2-나프토산(1,4-DIHYDROXY-2-NAPHTHOICACID)DHNA1,4-dihydroxy-2-naphthoate4-Dihydroxy-2-naphthoic acid1,4-Hydroxy-2-naphthoic acid1,4-Dohydroxy-2-naphthoic acid1,4 -DIHYDOXY-2-NAPHTHOIC ACIDAminolevulinic Acid Impurity 71,4-DIHYDROXY-2-NAPHTHALIC ACID

1,4-Dihydroxy-2-naphtoic acidUNII-1U77MR5Q7O1,4-Dihydroxy-2-naphthoicAcidEINECS 250-674-7CBMicro_022187bmse000688C03657Oprea1_682770

데이터베이스 식별자

CAS: 31519-22-9
PubChem CID: 671
DTXSID: DTXSID0037730
ChEMBL: CHEMBL1232286
ChEBI: CHEBI:18094
UNII: 1U77MR5Q7O
EC Number: 250-674-7
Nikkaji: J27.838F

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 77.8 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 253

물리화학적 성질

녹는점: 220 °C · 220 °C (dec.) (lit.)
끓는 점: 461.7 · 461.7±40.0 °C(Predicted)
밀도: 1.535 · 1.535±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 2.89 · 2.89±0.30(Predicted)
색상: White to Amber to Dark green
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)
InChIKey: VOJUXHHACRXLTD-UHFFFAOYSA-N
SMILES: C1(O)=C2C(C=CC=C2)=C(O)C=C1C(O)=O
EPA: 2 · 2-Naphthalenecarboxylic acid, 1,4-dihydroxy- (31519-22-9)

화학적 성질

Lighte yellow powder

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

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

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29182900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
기존화학 물질: KE-10847
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Naphthalenecarboxylic acid, 1,4-dihydroxy-: ACTIVE

응용 분야

용도1,4-Dihydroxy-2-naphthoic acid from Propionibacterium freudenreichii is known to promote the proliferation of Bifidobacterium. It has potential therapeutic application for psoriasis treatment.

일반 설명1,4-Dihydroxy-2-naphthoic acid from Propionibacterium freudenreichii is known to promote the proliferation of Bifidobacterium. It has potential therapeutic application for psoriasis treatment.

공급사100 곳

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]

常州佳德医药科技有限公司18006124028

成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

추가 설명

정의ChEBI: A naphthoic acid that is 2-naphthoic acid substituted by hydroxy groups at positions 1 and 4.

화합물 노트

불러오는 중…

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 31519-22-9
표준 SMILES: O=C(O)c1cc(O)c2ccccc2c1O
InChIKey: VOJUXHHACRXLTD-UHFFFAOYSA-N
분자식: C11H8O4
평균 분자량: 204.18 g/mol
단동위원소 질량: 204.04225874

개요