기본 정보
- CAS
93-01-6- 표준 SMILES
O=S(=O)(O)c1ccc2cc(O)ccc2c1- InChIKey
VVPHSMHEYVOVLH-UHFFFAOYSA-N- 분자식
- C10H8O4S
- 평균 분자량
- 224.23 g/mol
- 단동위원소 질량
- 224.01432991
개요
RN given refers to parent cpd; structure in Merck Index, 9th ed, #6219
이름 및 식별자
- 우선 이름
- 2-Naphthol-6-sulfonic acid
- IUPAC
- 6-hydroxynaphthalene-2-sulfonic acid
- 현지명
- 6-히드록시나프탈렌-2-술폰산
- 영어명
- 6-Hydroxynaphthalene-2-sulphonic acid
- 분자식
- C10H8O4S
- 분자량
- 224.23
이름 및 동의어
93-01-62-Naphthol-6-sulfonic acid2-Naphthalenesulfonic acid, 6-hydroxy-Schaeffer's acid2-Hydroxy-6-naphthalenesulfonic acid6-HYDROXY-2-NAPHTHALENESULFONIC ACIDbeta-Naphthol-6-sulfonic acidSchaeffer's beta-naphtholsulfonic acidO937I7N48VNSC-5871RefChem:477109202-209-4
이름 더 보기
6-히드록시나프탈렌-2-술폰산Baum's acidSchafferacidScheffers acidSCHAEFFER ACIDSCHAFFER'S SALTSchaffer`s acidSCHAEFFER'S SALT
6-hydroxynaphthalene-2-sulfonic acid6-Hydroxynaphthalene-2-sulphonic acid2-Naphtol-6-sulfosaure2-Napthol-6-sulfonic acid.beta.-Naphthol-6-sulfonic acidSchaeffer's .beta.-acidSchaeffer's .beta.-naphtholsulfonic acidSCHAFFER'S ACID
데이터베이스 식별자
- CAS
93-01-6- PubChem CID
- 7117
- DTXSID
DTXSID2047014
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 83 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 319
실험 및 물리화학적 성질
Melting Point125 °C
Collision Cross Section148.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7029166]
물리화학적 성질
- 녹는점
- 300 °C · >300 °C(lit.)
- 끓는 점
- 335.63 °C · 335.63°C (rough estimate)
- 밀도
- 1.4643 · 1.4643 (rough estimate)
- 굴절률
- 1.54 · 1.5400 (estimate)
- 산도 계수 (pKa)
- 0.41 · 0.41±0.40(Predicted)
- NIST
- 2 · 2-Naphthalenesulfonic acid, 6-hydroxy-(93-01-6)
- EPA
- 2 · 2-Naphthalenesulfonic acid, 6-hydroxy- (93-01-6)
화학적 성질
2-Hydroxynaphthalene- 6 -sulfonic acid [93-01-6]. (6-hydroxynaphthalene-2-sulfonic acid), Schaeffer acid, C10H8O4S, Mr 224.23, is readily soluble in water, from which it can be recrystallized as the monohydrate (mp 129℃). The sodium salt is sparingly soluble in cold water (1.7 %) but forms a 30 % solution at 80℃. Coupling with diazo compounds results in substitution in the 1-position as does treatment with bromine, nitrous acid, or oleum. Fusion with potassium hydroxide gives 2,6-dihydroxynaphthalene, amination gives 2- aminonaphthalene-6-sulfonic acid, and sulfonation (20 % oleum, 25℃) results in 2-hydroxynaphthalene-1,6-disulfonic 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 1.3% (2 of 150) of reports.
Danger
H314 (26%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 150 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Naphthalenesulfonic acid, 6-hydroxy-
REACH registered substance: 6-hydroxynaphthalene-2-sulphonic acid (EC: 202-209-4)
2-Naphthalenesulfonic acid, 6-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 (26%)
안전 및 보호
Protective Action Criteria (PAC)
0.54 [mg/m3]
6.0 [mg/m3]
36 [mg/m3]
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
화학 및 산업
용도 및 제조
General Manufacturing Information2-Naphthalenesulfonic acid, 6-hydroxy-: ACTIVE
상·하류 제품 정보
하류 제품
관련 반응
7건
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