2-아미노-5-히드록시-1,7-나프탈렌디술폰산

2-Amino-5-hydroxynaphthalene-1,7-disulphonic acid

HCID 81024CAS 6535-70-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1S(=O)(=O)O
InChIKey: HIVUAOXLSJITPA-UHFFFAOYSA-N
분자식: C10H9NO7S2
평균 분자량: 319.3 g/mol
단동위원소 질량: 318.98204363

이름 및 식별자

우선 이름: 2-Amino-5-hydroxynaphthalene-1,7-disulphonic acid
IUPAC: 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid
현지명: 2-아미노-5-히드록시-1,7-나프탈렌디술폰산
영어명: 2-Amino-5-hydroxynaphthalene-1,7-disulfonic acid
분자식: C10H9NO7S2
분자량: 319.31

이름 및 동의어

2-Amino-5-hydroxynaphthalene-1,7-disulphonic acidEINECS 229-445-02-Amino-5-hydroxy-1,7-naphthalenedisulfonic acidRefChem:464611229-445-02-amino-5-hydroxynaphthalene-1,7-disulfonic acid6535-70-23-Aminonaphthalene-8-Hydroxy-4,6-Disulfonic AcidMFCD034119832-amino-5-hydroxy-naphthalene-1,7-disulfonic acid2-Amino-5-hydroxynaphthalene-1,7-disulfonicacidSCHEMBL713434

이름 더 보기

2-아미노-5-히드록시-1,7-나프탈렌디술폰산SULFO J ACID2-amino-5-naphthol-1,7-disulfonic acid3-amino-8-naphthol-4,6-disulfonic acid6-Amino-1-naphthol-3,5-disulfonic acid3-amino-4,6-disulfo-8-hydroxynaphthalene3-Amino-8-hydroxy-4,6-disulfonaphthalene2-Amino-5-naphthol- 1,7-disulphonic acid2-Amino-5-hydroxynaphthalene-1,7-disulfonicaci7-amino-4-hydroxynaphthalene-2,8-disulfonic acid6-amino-1-hydroxy-3,5-naphthalenedisulfonic acid

1,7-Naphthalenedisulfonic acid, 2-amino-5-hydroxy-SCHEMBL1413136SCHEMBL7067393SCHEMBL29415548SCHEMBL29516387DTXSID50983970K9T45FG392AKOS015897474

데이터베이스 식별자

CAS: 6535-70-2
PubChem CID: 81024
DTXSID: DTXSID50983970
UNII: K9T45FG392
EC Number: 229-445-0
Nikkaji: J53.389K

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 172 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 8
회전 가능 결합 수: 2
무거운 원자 수: 20
형식 전하: 0
복잡도: 561

물리화학적 성질

끓는 점: 603.18 ℃[at · 603.18℃[at 101 325 Pa]
밀도: 1.88 · 1.880
증기압: 0 Pa · 0Pa at 25℃
산도 계수 (pKa): -0.42 · -0.42±0.40(Predicted)
수용성: 35.36 g/L · 35.36g/L at 25℃
InChI: InChI=1S/C10H9NO7S2/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKey: HIVUAOXLSJITPA-UHFFFAOYSA-N
SMILES: C1(S(O)(=O)=O)=C2C(C(O)=CC(S(O)(=O)=O)=C2)=CC=C1N
LogP: -2.33 at · -2.33 at 25℃

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (9 of 9) of all reports.

Not Classified

Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 13-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20683

Hazard Classes and CategoriesNot Classified

안전 데이터

함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: 2-아미노-5-히드록시-1,7-나프탈렌디술폰산 및 이를 5% 이상 함유한 혼합물
유해화학물질 필터링: 2018-1-868(신규화학물질)

화학 및 산업

제조 방법

생산 방법2-Aminonaphthalene-1,5,7-trisulfonic acid is heated with sodium hydroxide liquor at 170℃ and worked up in a similar way to the K acid. Alternatively, J acid may be sulfonated with 65 % oleum.