기본 정보
- CAS
132-86-5- 표준 SMILES
Oc1cc(O)c2ccccc2c1- InChIKey
XOOMNEFVDUTJPP-UHFFFAOYSA-N- 분자식
- C10H8O2
- 평균 분자량
- 160.17 g/mol
- 단동위원소 질량
- 160.05242949
이름 및 식별자
- 우선 이름
- 1,3-Dihydroxynaphthalene
- IUPAC
- naphthalene-1,3-diol
- 현지명
- 1,3-나프탈렌 디올
- 영어명
- 1,3-Dihydroxynaphthalene
- 분자식
- C10H8O2
- 분자량
- 160.17
이름 및 동의어
1,3-Naphthalenediol132-86-51,3-DIHYDROXYNAPHTHALENENaphthoresorcinol5X457YEW8YDTXSID8059631RefChem:832042DTXCID8034081205-079-7Naphthalene-1,3-diolNaphthoresoucinol3-Hydroxybenzocyclohexadien-1-one
이름 더 보기
1,3-나프탈렌디올NAPHTORESORCINENAPHTHORESORCINEnaphtharesorcinol1,3-phthalenediolNaphthoresorcinolGr1,3-Dioxynaphthalene
MFCD00003965NaphthoresorcinCCRIS 7896AI3-08780EINECS 205-079-7UNII-5X457YEW8YNSC 115890NSC-115890
데이터베이스 식별자
- CAS
132-86-5- PubChem CID
- 8601
- DTXSID
DTXSID8059631- ChEMBL
CHEMBL381547- UNII
- 5X457YEW8Y
- EC Number
- 205-079-7
- Nikkaji
- J5.577H
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 158
실험 및 물리화학적 성질
Vapor Pressure0.00000715 [mmHg]
Physical DescriptionClear solid; [Hawley] Tan powder; [MSDSonline]
물리화학적 성질
- 녹는점
- 123 · 123-125 °C(lit.)
- 끓는 점
- 246.06 °C · 246.06°C (rough estimate)
- 밀도
- 1.0924 · 1.0924 (rough estimate)
- 굴절률
- 1.5418 · 1.5418 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 50 mg/mL · 에탄올: 용해성50mg/mL
- 물리적 상태
- 수정 같은
- 산도 계수 (pKa)
- 9.15 · 9.15±0.40(Predicted)
- 색상
- 흰색에서 황갈색까지
- 수용성
- 에탄올(50 mg/ml) 및 물에 용해됩니다.
- Merck
- 14 · 14,6396
- BRN
- 2044002 · 2044002
- InChI
- 1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H
- InChIKey
- XOOMNEFVDUTJPP-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H341 (10.4%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: 1,3-Naphthalenediol
1,3-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline] See Resorcinol.
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.8%)；Muta. 2 (10.4%)
규제 정보
Regulatory Information
Chemical: 1,3-Naphthalenediol
1,3-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
용도 및 제조
UsesUsed as an analytical reagent and to make dyes and pharmaceuticals; [Hawley]
General Manufacturing Information1,3-Naphthalenediol: ACTIVE
응용 분야
개요1,3-Dihydroxynaphthalene (1,3-DHN) is a multifunctional chemical reagent. Similar to resorcinol, it can be phosphorylated at room temperature using phosphotriamide, though its rate of diphosphorylation is lower. In addition, the 1,3-DHN molecule exhibits fluorescent properties, with absorption spectra peaking at 290 nm and 330 nm, while the emission spectrum shows a peak at 380 nm and a shoulder peak at 425 nm. Non-ionic surfactants significantly enhance the fluorescence intensity of 1,3-DHN, whereas the addition of cationic or anionic additives diminishes its fluorescence intensity.
용도Reagent for sugars, oils, and for glucuronic acid in urine: Forsyth, Nature 161, 239 (1948); Heyns, Kelch, Z. Anal. Chem. 139, 339 (1953).
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