석회질
Calcion
기본 정보
- CAS
3810-39-7- 표준 SMILES
O=S(=O)([O-])c1cc(O)c2c(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N=Nc5c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])cc(O)c6c5O)c4c3O)cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
JCVAGGLLUIBFSY-UHFFFAOYSA-H- 분자식
- C30H14N4Na6O22S6
- 평균 분자량
- 1,112.8 g/mol
- 단동위원소 질량
- 1,111.7810108
개요
RN given refers to the (6Na)-salt; RN for parent cpd not avail 3/90
이름 및 식별자
- 우선 이름
- Calcion
- IUPAC
- hexasodium;5-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxy-3-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate
- 현지명
- 석회질
- 영어명
- CALCICHROME
- 분자식
- C30H21N4NaO22S6
- 분자량
- 1004.85
이름 및 동의어
CalcionDTXSID80889476RefChem:122740DTXCID1010308153810-39-7hexasodium;5-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxy-3-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonateEINECS 223-283-4AKOS024424616NSC 141149Hexasodium 4,5-dihydroxy-3-({8-hydroxy-7-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-3,6-disulfonatonaphthalen-1-yl}diazenyl)naphthalene-2,7-disulfonateSodium 5-((1,8-dihydroxy-3,6-disulphonaphthalen-2-yl)azo)-4-hydroxy-3((8-hydroxy-3,6-disulphonaphthalen-1-yl)azo)naphthalene-2,7-disulphonatesodium 5-((E)-(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl)-4-hydroxy-3-((E)-(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl)naphthalene-2,7-disulfonate
이름 더 보기
석회질CALCICHROME6-disulfo-1-naphthalenyl)azo]-o]-4-hydroxy-3-[(8-hydroxy-hexasodiumsalt5-[(1,8-Dihydroxy-3,6-disulfo-2-naphthyl)-azo]-4-hydroxy-3-[(8-hydroxy-3,6-2,7-naphthalenedisulfonicacid,5-[(1,8-dihydroxy-3,6-disulfo-2-naphthalenyl)az
물성
구조 계산 물성
- 극성 표면적
- 524 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 26
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 68
- 형식 전하
- 0
- 복잡도
- 2,340
물리화학적 성질
- InChIKey
- ISXROYZMCNOGHZ-KZIIJSKASA-N
- SMILES
- N(/C1=CC(S(O)(=O)=O)=CC2=CC(S(O)(=O)=O)=C(/N=N/C3=CC(S(O)(=O)=O)=CC4=CC(S(O)(=O)=O)=CC(O)=C34)C(O)=C12)=N\C1=C(C2=C(C=C(S(O)(=O)=O)C=C2C=C1S(O)(=O)=O)O)O.[NaH]
- EPA
- 2 · 2,7-Naphthalenedisulfonic acid, 5-[(1,8-dihydroxy-3,6-disulfo-2-naphthalenyl)azo]-4-hydroxy-3-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-, hexasodium salt (3810-39-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 39 reports by companies from 2 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
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 5-[2-(1,8-dihydroxy-3,6-disulfo-2-naphthalenyl)diazenyl]-4-hydroxy-3-[2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-, sodium salt (1:6): INACTIVE
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