기본 정보
- CAS
13432-13-8- 표준 SMILES
O=S(=O)(O)c1cc(O)c2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1- InChIKey
IJDLCOIGFNUHAQ-UHFFFAOYSA-N- 분자식
- C16H12N2O8S2
- 평균 분자량
- 424.4 g/mol
- 단동위원소 질량
- 424.00350769
개요
4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid is a naphthalenesulfonic acid that is naphthalene-2,7-disulfonic acid carrying two additional hydroxy substituents at positions 4 and 5 as well as a phenyldiazenyl substituent at position 3. The disodium salt is the biological stain 'acid red 29'. It is a member of azobenzenes, a member of naphthalenediols and a naphthalenesulfonic acid. It is a conjugate acid of a 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate.
이름 및 식별자
- 우선 이름
- 4,5-Dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid
- IUPAC
- 4,5-dihydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
- 현지명
- 3-(페닐아조)-4,5-디히드록시-2,7-나프탈렌디술폰산
- 영어명
- 3-(Phenylazo)-4,5-dihydroxy-2,7-naphthalenedisulfonic acid
- 분자식
- C16H12N2O8S2
- 분자량
- 424.41
이름 및 동의어
4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acidCHEBI:87108RefChem:106939513432-13-8C.I. 16570SCHEMBL5351115SCHEMBL5351119acid red 29 (free acid form)SCHEMBL22798905DTXSID604255183-(Phenylazo)-4,5-dihydroxy-2,7-naphthalenedisulfonic acid4,5-dihydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
이름 더 보기
3-(페닐아조)-4,5-디히드록시-2,7-나프탈렌디술폰산3-Phenylazochromotropic acid2-(Phenylazo)-1,8-dihydroxy-3,6-naphthalenedisulfonic acid
Q271593732,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-phenylazo-4,5-Dihydroxy-3-phenylazo-2,7-naphthalenedisulfonic acid1,8-di-hydroxy-2-(phenylazo)-3,6-naphthalene disulphonic acid4,5-dihydroxy-3-[(E)-phenylazo]naphthalene-2,7-disulfonic acid5-Hydroxy-4-oxo-3-(2-phenylhydrazinylidene)-3,4-dihydronaphthalene-2,7-disulfonic acid
데이터베이스 식별자
- CAS
13432-13-8
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 191 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 782
물리화학적 성질
- 밀도
- 1.742 · 1.742±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- -0.269 · -0.269±0.40(predicted)
관련 반응
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