기본 정보
- 표준 SMILES
Oc1ccc2cc(Br)ccc2c1Br- InChIKey
VKESFYLPKHQOOA-UHFFFAOYSA-N- 분자식
- C10H6Br2O
- 평균 분자량
- 301.96 g/mol
- 단동위원소 질량
- 299.87854
이름 및 식별자
- 우선 이름
- 2-Naphthol, 1,6-dibromo-
- IUPAC
- 1,6-dibromonaphthalen-2-ol
- 영어명
- 1,6-Dibromo-2-naphthol
- 분자식
- C10H6Br2O
- 분자량
- 301.96
이름 및 동의어
1,6-Dibromo-2-naphthol16239-18-22-Naphthalenol, 1,6-dibromo-2-NAPHTHOL, 1,6-DIBROMO-1,6-Dibromo-beta-naphtholAI3-19853NSC 9870EINECS 240-356-6BRN 20922981,6-DIBROMO-2-NAPHTHALENOLDTXSID00751001,6-Dibromonaphthalen-2-ol methanol monosolvate
이름 더 보기
AURORA 701AKOS BBS-00008050Dibromonaphthol,95%1,6-dibromo-2-naphthoOc2ccc1cc(Br)ccc1c2Br1,6-DIBRONO-2-NAPHTHOL
1,6Dibromobetanaphthol2Naphthol, 1,6dibromoRefChem:4771022Naphthalenol, 1,6dibromoDTXCID7035220240-356-61,6-dibromonaphthalen-2-ol1,6-Dibromo-2-hydroxynaphthalene
데이터베이스 식별자
- CAS
16239-18-2- PubChem CID
- 27768
- DTXSID
DTXSID0075100- UNII
- W9S75P5MUJ
- EC Number
- 240-356-6
- Nikkaji
- J30.406I
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 186
실험 및 물리화학적 성질
Physical DescriptionPink powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 105 · 105-107 °C(lit.)
- 끓는 점
- 368.5 · 368.5±22.0 °C(Predicted)
- 밀도
- 1.7523 · 1.7523 (rough estimate)
- 굴절률
- 1.556 · 1.5560 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 6.94 · 6.94±0.50(Predicted)
- 물리적 상태
- 가루
- 색상
- 분홍색에서 보라색 또는 연한 갈색까지
- EPA
- 1 · 1,6-Dibromo-2-naphthol (16239-18-2)
화학적 성질
Pink to purple or light brown powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 5 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
Hazards SummaryIntraperitoneal LDLo (mouse) = 500 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See 2-Naphthol.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
안전 데이터
- wgk
- 3
- rtecs
- QL3500000
- HS 번호
- 29081990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25
화학 및 산업
상·하류 제품 정보
상류 원료
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