기본 정보
- CAS
131-27-1- 표준 SMILES
Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1- InChIKey
MTJGVAJYTOXFJH-UHFFFAOYSA-N- 분자식
- C10H9NO6S2
- 평균 분자량
- 303.3 g/mol
- 단동위원소 질량
- 302.98712901
이름 및 식별자
- 우선 이름
- 3-Amino-1,5-naphthalenedisulfonic acid
- IUPAC
- 3-aminonaphthalene-1,5-disulfonic acid
- 영어명
- 2-Amino-4,8-naphthalenedisulfonic acid
- 분자식
- C10H9NO6S2
- 분자량
- 303.31
이름 및 동의어
131-27-12-Amino-4,8-naphthalenedisulfonic acid2-Naphthylamine-4,8-disulfonic acidAcid IV1,5-Naphthalenedisulfonic acid, 3-amino-3-Amino-1,5-naphthalenedisulfonic acidKyselina C [Czech]3-Aminonaphthalene-1,5-disulphonic acidKyselina C4,8-Disulfo-2-naphthalamine7-Amino-1,5-naphthalenedisulfonic acidbeta-Naphthylaminedisulfonic acid
이름 더 보기
C ACIDAMINO C ACID3-aminonaphthalene-1,5-disulfonic acidacidivkyselinacCASSELLA ACIDJACS-131-27-12-Amino-4,8-naphthal
NSC 7558EINECS 205-020-5X5M28DHP3K4,8-Disulfo-2-naphthylamineKyselina 2-naftylamin-4,8-disulfonovabeta-Naphthylamine-4,8-disulfonic acidBRN 3104699NSC-7558
데이터베이스 식별자
- CAS
131-27-1- PubChem CID
- 8563
- DTXSID
DTXSID5059616- UNII
- X5M28DHP3K
- EC Number
- 205-020-5
- Nikkaji
- J7.406C
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 152 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 531
실험 및 물리화학적 성질
Physical DescriptionDry Powder
물리화학적 성질
- 끓는 점
- 205.8 °C · 205.8°C (rough estimate)
- 밀도
- 1.6329 · 1.6329 (rough estimate)
- 굴절률
- 1.733 · 1.7330 (estimate)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- -1.16 · -1.16±0.40(Predicted)
- InChI
- InChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
- InChIKey
- MTJGVAJYTOXFJH-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=C2C(C(S(O)(=O)=O)=CC=C2)=CC(N)=C1
- EPA
- 1 · 1,5-Naphthalenedisulfonic acid, 3-amino- (131-27-1)
화학적 성질
2-Aminonaphthalene-4,8-disulfonic acid [131-27-1]. (3-aminonaphthalene-1,5-disulfonic acid), Cassella acid, C acid, C10H9NO6S2, Mr 303.32, and its salts are readily soluble in water. Reduction with sodium amalgam desulfonates 2-Aminonaphthalene-4,8-disulfonic acid to give 2-aminonaphthalene-8-sulfonic acid, whereas boiling with dilute sulfuric acid results in desulfonation and hydrolysis to give 2- hydroxynaphthalene-4-sulfonic acid. Alkali fusion (KOH, 215℃) produces 2-amino-4-hydroxynaphthalene-8-sulfonic acid.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 18.2% (2 of 11) of reports.
Warning
H319 (81.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1,5-Naphthalenedisulfonic acid, 3-amino-
1,5-Naphthalenedisulfonic acid, 3-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,5-Naphthalenedisulfonic acid, 3-amino- 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: 06-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17115
Hazard Classes and CategoriesEye Irrit. 2 (81.8%)
안전 데이터
- tsca
- TSCA listed
- 독성
- rat,LD50,oral,11400mg/kg (11400mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1058, 1986.
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 기존화학 물질
- KE-01492
화학 및 산업
용도 및 제조
U.S. Production2023: 11,463 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,5-Naphthalenedisulfonic acid, 3-amino-: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
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