7-Amino-4-hydroxy-2-naphthalenesulfonic acid (HCID 6868)

개요

7-amino-4-hydroxy-2-naphthalenesulfonic acid is an aminonaphthalenesulfonic acid that is 2-naphthalenesulfonic acid substituted by an amino group at position 7 and a hydroxy group at position 4 respectively. It has a role as a metabolite. It is a member of naphthols and an aminonaphthalenesulfonic acid.

이름 및 식별자

우선 이름: 7-Amino-4-hydroxy-2-naphthalenesulfonic acid
IUPAC: 7-amino-4-hydroxynaphthalene-2-sulfonic acid
현지명: 2-아미노-5-나프톨-7-술폰 산
영어명: J acid
분자식: C10H9NO4S
분자량: 239.25

이름 및 동의어

87-02-57-AMINO-4-HYDROXY-2-NAPHTHALENESULFONIC ACIDIsogamma acid2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-1-Hydroxy-6-amino-3-naphthalenesulfonic acid9A1IU1C93LNSC-7556NSC-8631NSC-31510CHEBI:873167-NH2-4-OH-2-NSARefChem:433151

이름 더 보기

2-아미노-5-나프톨-7-술폰산2-아미노-5-나프톨-7-술폰산Diacid6-Amino-1-naphthol-3-sulfonic Acid HydrateI-ACIDkyselinaiIso-γ acid

201-718-97-amino-4-hydroxynaphthalene-2-sulfonic acidJ acid2-Amino-5-naphthol-7-sulfonic AcidI acid6-Amino-1-naphthol-3-sulfonic acidKyselina I [Czech]Kyselina I

데이터베이스 식별자

CAS: 87-02-5
PubChem CID: 6868
DTXSID: DTXSID7026520
ChEMBL: CHEMBL220259
ChEBI: CHEBI:87316
UNII: 9A1IU1C93L
EC Number: 201-718-9
Nikkaji: J356E

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 109 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 350

실험 및 물리화학적 성질

Physical DescriptionDry Powder

Collision Cross Section153.3 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7026520]

물리화학적 성질

밀도: 1.4338 · 1.4338 (rough estimate)
증기압: 0 Pa · 0Pa at 25℃
굴절률: 1.65 · 1.6500 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 물에 약간 용해됨
산도 계수 (pKa): -0.28 · -0.28±0.40(Predicted)
물리적 상태: 가루
색상: 노란색
수용성: 5 g/L · 5g/L at 20℃
InChI: InChI=1S/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
InChIKey: KYARBIJYVGJZLB-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC(N)=C2)=C(O)C=C1S(O)(=O)=O
LogP: -1.39 · -1.39
EPA: 7 · 7-Amino-4-hydroxy-2-naphthalenesulfonic acid (87-02-5)

화학적 성질 · 1건

Gray needles, white when pure. Soluble in hot water; sparingly soluble in cold water. 2-Amino-5-hydroxynaphthalene-7-sulfonic acid [87-02-5]. (7-amino-4-hydroxynaphthalene-2-sulfonic acid), J acid, C10H9NO4S, Mr 239.2, is only slightly soluble (0.1 %) in cold water but readily soluble at 100℃. The alkalimetal salts are readily soluble in water. Diazo compounds are normally coupled with J acid under alkaline conditions with reaction in the 6-position (ortho to hydroxyl); however, under acid conditions, coupling can occur in the 1- position. Reaction with bisulfite gives 4,7-dihydroxynaphthalene-2-sulfonic acid. The N-acylation, Nalkylation, and N-arylation reactions are important.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 78.3% (173 of 221) of all reports.

Danger

H314 (20.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 221 reports by companies from 5 notifications to the ECHA C&L Inventory.

Not Classified

유해성 정보

Regulatory Information · 4건

Chemical: 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-

2-Naphthalenesulfonic acid, 7-amino-4-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 06-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5592

2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (20.8%)

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: QK1295500
ridadr: UN 2585 8/PG 3
독성: LD50 oral in rat: 11500mg/kg
HS 번호: 2922190090
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39
포장분류: III
위험 등급: 8
기존화학 물질: KE-01411
F 고인화성물질: 21
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

U.S. Production2023: <75,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

Synthetic Dye and Pigment Manufacturing

2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-: ACTIVE

응용 분야

용도Azo dye intermediate.

상·하류 제품 정보

상류 원료

하류 제품

disodium 3-[[4'-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-1-sulphonate 5,5'-디히드록시-2,2'-디나프틸아민-7,7'-디술폰산 Reactive Orange 5 7-(아세틸아미노)-4-하이드록시-2-나프탈렌설폰산 Reactive Orange 1 Direct Red 31 6-Amino-1-naphthol Acid red 137 REACTIVE ORANGE 84 2-Hydroxy-5-[[5-hydroxy-6-[(2-sodiooxycarbonylphenyl)azo]-7-sodiosulfo-2-naphthalenyl]azo]benzoic acid sodium salt 1,6-Naphthalenedisulfonic acid, 7-[[4'-[(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-8-hydroxy-, trisodium salt REACTIVE ORANGE 82

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]

추가 설명 · 1건

정의ChEBI: 7-amino-4-hydroxy-2-naphthalenesulfonic acid is an aminonaphthalenesulfonic acid that is 2-naphthalenesulfonic acid substituted by an amino group at position 7 and a hydroxy group at position 4 respectively. It has a role as a metabolite. It is an aminonaphthalenesulfonic acid and a member of naphthols.

연결된 노트

불러오는 중…

2-아미노-5-나프톨-7-술폰 산

기본 정보

개요