7-아닐리노-4-히드록시-2-나프탈렌술폰산

4-Hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid

HCID 67065CAS 119-40-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=S(=O)(O)c1cc(O)c2ccc(Nc3ccccc3)cc2c1
InChIKey: YGNDWDUEMICDLW-UHFFFAOYSA-N
분자식: C16H13NO4S
평균 분자량: 315.3 g/mol
단동위원소 질량: 315.0565289

이름 및 식별자

우선 이름: 4-Hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid
IUPAC: 7-anilino-4-hydroxynaphthalene-2-sulfonic acid
현지명: 7-아닐리노-4-히드록시-2-나프탈렌술폰산
영어명: 7-Anilino-4-hydroxy-2-naphthalenesulfonic acid
분자식: C16H13NO4S
분자량: 315.34

이름 및 동의어

119-40-44-Hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid7-Anilino-4-hydroxy-2-naphthalenesulfonic acidPhenyl J AcidPhenyl I Acid4-Hydroxy-7-(phenylamino)-2-naphthalenesulfonic acidDTXSID0044787UNII-758U5197SS2-Naphthalenesulfonic acid, 4-hydroxy-7-(phenylamino)-N-PHENYL I ACIDN-PHENYL J ACIDNSC-1745

이름 더 보기

7-아닐리노-4-히드록시-2-나프탈렌술폰산N-PhenylJ-acidN-Phenyl-J-acidN-Phenyl iso-γ acid2-Anilino-5-naphthol-7-sulfonicacid6-ANILINO-1-NAPHTHOL-3-SULFONIC ACID7-ANILINO-4-NAPHTHOL-2-SULFONIC ACID2-Phenylamino-5-naphthol-7-sulfonicacid6-Phenylamino-1-naphthol-3-sulfonicacid2-Phenylamine-5-naphthol-7-sulfonic acid

EINECS 204-320-3NSC 10451NSC-10451NSC-371532-Naphthalenesulfonic acid, 7-anilino-4-hydroxy-758U5197SSDTXCID8024787EC 204-320-3

데이터베이스 식별자

CAS: 119-40-4
PubChem CID: 67065
DTXSID: DTXSID0044787
ChEMBL: CHEMBL1716317
UNII: 758U5197SS
EC Number: 204-320-3
Nikkaji: J5.313I

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 95 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 22
형식 전하: 0
복잡도: 469

실험 및 물리화학적 성질

Physical DescriptionDry Powder

Collision Cross Section180.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0044787]

물리화학적 성질

녹는점: 114 °C · 114 °C
밀도: 1.495 · 1.495±0.06 g/cm3(Predicted)
굴절률: 1.734 · 1.734
저장 조건: Store at room temperature
산도 계수 (pKa): -0.18 · -0.18±0.40(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 회색, 갈색까지
수용성: 587.97 mg/L · 587.97mg/L at 25℃
LogP: 0.83 · 0.83
EPA: 4 · 4-Hydroxy-7-(phenylamino)-2-naphthalenesulfonic acid (119-40-4)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 58.3% (28 of 48) of all reports.

Warning

H319 (41.7%): 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

2-Naphthalenesulfonic acid, 4-hydroxy-7-(phenylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenesulfonic acid, 4-hydroxy-7-(phenylamino)- 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)

REACH registered substance: 7-anilino-4-hydroxynaphthalene-2-sulphonic acid (EC: 204-320-3)

Hazard Classes and CategoriesEye Irrit. 2 (41.7%)

안전 데이터

tsca: TSCA listed
HS 번호: 2922.29.8190
safety_code: 22-24/25
기존화학 물질: KE-20794

화학 및 산업

용도 및 제조

U.S. Production2023: <75,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

Synthetic Dye and Pigment Manufacturing

2-Naphthalenesulfonic acid, 4-hydroxy-7-(phenylamino)-: ACTIVE

상·하류 제품 정보

상류 원료

하류 제품

Direct Bordeaux NGB Direct Blue 78 DIRECT VIOLET 51 trisodium 4-hydroxy-5-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-5-methoxy-2-methylphenyl]azo]naphthalene-2,7-disulphonate Direct Violet 9 disodium 3-[[4'-[[6-amino-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-1-sulphonate 4-Hydroxy-3-[[5-methyl-2-methoxy-4-[(2-sodiosulfo-1-naphthalenyl)azo]phenyl]azo]-7-(phenylamino)naphthalene-2-sulfonic acid sodium salt [1,1'-Biphenyl]-3,3'-dicarboxylicacid,4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-4'-[2-(1-hydroxy-5-sulfo-2-naphthalenyl)diazenyl]-,sodium salt (1:4)tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate 4-Hydroxy-7-phenylamino-3-[[2,5-dimethyl-4-[(4-methyl-2-sodiosulfophenyl)azo]phenyl]azo]naphthalene-2-sulfonic acid sodium salt DIRECT BLUE 78 C.I. Acid Brown 87

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

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