기본 정보
- 표준 SMILES
OC1c2ccccc2CC1Br- InChIKey
RTESDSDXFLYAKZ-UHFFFAOYSA-N- 분자식
- C9H9BrO
- 평균 분자량
- 213.07 g/mol
- 단동위원소 질량
- 211.98368
이름 및 식별자
- 우선 이름
- 2-Bromo-1-indanol
- IUPAC
- 2-bromo-2,3-dihydro-1H-inden-1-ol
- 영어명
- 2-Bromo-1-indanol
- 분자식
- C9H9BrO
- 분자량
- 213.07
이름 및 동의어
2-Bromo-1-indanol5400-80-62-Bromoindan-1-olNSC-103894E68V72BZADTXSID701316516RefChem:1062430DTXCID40893690226-442-62-bromo-2,3-dihydro-1H-inden-1-ol1-Hydroxy-2-bromoindan2-Bromo-1-hydroxyindane
이름 더 보기
2-Bromo-1-indano2-Bromo-1-indanoleIndenebromohydrine2- bromo -1- indenol2-Bromo-1-indanol,99%2-Bromo-1-indanol >2-BROM-1-HYDROXYINDANE
Indene bromohydrinMFCD00003798trans-2-Bromo-1-indanol1H-Inden-1-ol, 2-bromo-2,3-dihydro-1-Indanol, 2-bromo-2-Bromo-1-hydroxyhydrindeneNSC10389EINECS 226-442-6
데이터베이스 식별자
- CAS
5400-80-6- PubChem CID
- 95444
- DTXSID
DTXSID701316516- UNII
- 4E68V72BZA
- EC Number
- 226-442-6
- Nikkaji
- J208.139C
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 148
물리화학적 성질
- 녹는점
- 129 · 129-132 °C(lit.)
- 끓는 점
- 247.5 °C · 247.5°C (rough estimate)
- 밀도
- 1.3841 · 1.3841 (rough estimate)
- 굴절률
- 1.572 · 1.5720 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 13.19 · 13.19±0.40(Predicted)
- 색상
- White to Light yellow to Light orange
- BRN
- 2046877 · 2046877
- InChI
- InChI=1S/C9H9BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2
- InChIKey
- RTESDSDXFLYAKZ-UHFFFAOYSA-N
- SMILES
- C1(O)C2=C(C=CC=C2)CC1Br
화학적 성질
white to light yellow-beige needle-like crystals
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 (83.3%): 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 6 reports by companies from 3 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (83.3%)
안전 데이터
- wgk
- 3
- HS 번호
- 29062900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25
- 위험 참고 사항
- Irritant
화학 및 산업
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