기본 정보
- CAS
52927-22-7- 표준 SMILES
N#Cc1ccc2cc(O)ccc2c1- InChIKey
WKTNIBWKHNIPQR-UHFFFAOYSA-N- 분자식
- C11H7NO
- 평균 분자량
- 169.18 g/mol
- 단동위원소 질량
- 169.05276384
이름 및 식별자
- 우선 이름
- 6-Hydroxy-2-naphthonitrile
- IUPAC
- 6-hydroxynaphthalene-2-carbonitrile
- 영어명
- 6-Cyano-2-naphthol
- 분자식
- C11H7NO
- 분자량
- 169.18
이름 및 동의어
6-Hydroxy-2-naphthonitrileRefChem:543376628-663-76-Cyano-2-naphthol52927-22-76-hydroxynaphthalene-2-carbonitrile2-Naphthalenecarbonitrile, 6-hydroxy-MFCD018634806-Hydroxy-naphthalene-2-carbonitrile6-hydroxy-2-naphthalenecarbonitrile2-hydroxy-6-cyanonaphthaleneSCHEMBL1028464
이름 더 보기
CYANO(6-)-2-NAPTHOL6-CYANO-2-NAPHTHALENOL6-CYANO-2-NAPHTHOL 99%Nafamostat Impurity 22Nafamostat Impurity 256-Cyano-2-naphthol ,99%Crisaborole Impurity 87
AC-6788SY021503H0995EN300-16151222-Cyano-6-naphthol2-Cyano-6-hydroxynaphthaleneAM87038A7718
데이터베이스 식별자
- CAS
52927-22-7- PubChem CID
- 4589476
- DTXSID
DTXSID90404614- EC Number
- 628-663-7
- Nikkaji
- J633.569A
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 44 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 229
물리화학적 성질
- 녹는점
- 165.5 · 165.5-170.5 °C (lit.)
- 끓는 점
- 383.1 · 383.1±15.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간), 에탄올, 에틸아세테이트(약간), 메탄올(약간)에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 8.57 · 8.57±0.40(Predicted)
- 색상
- 옅은 갈색에서 갈색까지
- InChI
- InChI=1S/C11H7NO/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6,13H
- InChIKey
- WKTNIBWKHNIPQR-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=C(O)C=C2)=CC=C1C#N
화학적 성질
Brown Crystalline Solid. 6-Cyano-b-naphthol [52927-22-7], 6-cyano2-hydroxynaphthalene, 6-hydroxy-2-naphthoic acid nitrile, Mr 169.17, mp 166 – 167℃ This nitrile is used as an intermediate for the production of liquid crystals and monoamino-oxidase-inhibiting naphthalene-2-oxyalkylamines, which are used as antidepressive agents.
안전 및 규제
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 43 reports by companies from 6 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
- wgk
- 3
- HS 번호
- 29269090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Intermediate of Nafamostat mesilate (N210000).
일반 설명6-Cyano-2-naphthol (6CN2) is an aromatic alcohol that can be synthesized from 6-bromo-2-naphthol. It is a superphotoacid with the ground state pKa* value of 8.4 and excited state pKavalue of 0.2, respectively. 6CN2 protonates PANI-ES (polyaniline emeraldine salt) to form PANI-EB (emeraldine base), which shows enhanced conductivity. The proton-transfer kinetics and photophysical behavior of 6CN2 have been investigated.
상·하류 제품 정보
하류 제품
공급사100 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]
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]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
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