2-Bromo-1-indanone

HCID 137203CAS 1775-27-5

기본 정보

표준 SMILES: O=C1c2ccccc2CC1Br
InChIKey: UXVCSPSWUNMPMT-UHFFFAOYSA-N
분자식: C9H7BrO
평균 분자량: 211.05 g/mol
단동위원소 질량: 209.96803

이름 및 식별자

우선 이름: 2-Bromo-1-indanone
IUPAC: 2-bromo-2,3-dihydroinden-1-one
영어명: 2-Bromo-1-indanone
분자식: C9H7BrO
분자량: 211.06

이름 및 동의어

2-Bromo-1-indanone1775-27-5RefChem:85626627-652-4UXVCSPSWUNMPMT-UHFFFAOYSA-N2-Bromoindan-1-one2-Bromoindanone2-bromo-2,3-dihydroinden-1-one2-bromo-2,3-dihydro-1H-inden-1-one1H-Inden-1-one, 2-bromo-2,3-dihydro-MFCD000410301175-27-5

이름 더 보기

6-Bromindan-1-on2-Bromo-1-indanone 90%2-Bromo-1-indanone ,85%2-BROMO-1-INDANONE: TECH.2-Bromo-1-indanone ,tech.2-Bromoindanone, tech., 90%2-BroMo-1-indanone, tech., 8

bromoindanone2-bromo indanone2-bromo-indan-1-one2-Bromo-1-indanone, 90%SCHEMBL296403SCHEMBL27490753SCHEMBL29752636DTXSID00938935

데이터베이스 식별자

CAS: 1775-27-5
PubChem CID: 137203
DTXSID: DTXSID00938935
EC Number: 627-652-4
Nikkaji: J954.256F

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 178

물리화학적 성질

녹는점: 33 · 33-38 °C (lit.)
끓는 점: 110 · 110-112 °C/0.4 mmHg (lit.)
밀도: 1.427 · 1.4270 (rough estimate)
굴절률: 1.572 · 1.5720 (estimate)
인화점: 110 · 110-112°C/0.4mm
저장 조건: 2 · Storage temp. 2-8°C
BRN: 637789 · 637789
InChI: 1S/C9H7BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8H,5H2
InChIKey: UXVCSPSWUNMPMT-UHFFFAOYSA-N
SMILES: BrC1Cc2ccccc2C1=O

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (90.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.；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 Corr. 1B (90.7%)

안전 데이터

wgk: 3
ridadr: UN 1759
HS 번호: 29147000
risk_code: 36/37/38-34
hazard_code: C
safety_code: 24/25-36/37/39-27-26
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도2-Bromo-1-indanone may be used in the preparation of trans-2-benzal-1-indanone epoxide via Darzens-type condensation with benzaldehyde. It may also be employed as substrate to investigate the substrate specificity of recombinant β-keto ester reductase (KER) of Penicillium citrinum.

일반 설명2-Bromo-1-indanone is a halogenated indanone. It can be obtained via bromination of 1-indanone.