Bromoselenobenzene

HCID 123446CAS 34837-55-3

기본 정보

표준 SMILES: Br[Se]c1ccccc1
InChIKey: LCEFEIBEOBPPSJ-UHFFFAOYSA-N
분자식: C6H5BrSe
평균 분자량: 235.98 g/mol
단동위원소 질량: 235.87398356

이름 및 식별자

우선 이름: Bromoselenobenzene
IUPAC: phenyl selenohypobromite
영어명: PHENYLSELENYL BROMIDE
분자식: C6H5BrSe
분자량: 235.97

이름 및 동의어

Phenylselenyl bromide34837-55-3Benzeneselenenyl bromideBromoselenobenzeneEINECS 252-238-1DTXSID50188387RefChem:570391DTXCID80110878252-238-1Phenylselenenyl bromidephenyl selenohypobromitePhenyl hypobromoselenoite

이름 더 보기

PhenylbromoseleniumPhenylbromo selenidePhenylseleno bromidePhenylselenium bromidephenylselenohypobromite

PhSeBrMFCD00000047phenylselenylbromideBenzeneselenyl bromide(PHENYLSELANYL)BROMANEphenyl selenium bromideSCHEMBL27929CHEMBL3335713

데이터베이스 식별자

CAS: 34837-55-3
PubChem CID: 123446
DTXSID: DTXSID50188387
ChEMBL: CHEMBL3335713
UNII: SSC5P7WU8V
EC Number: 252-238-1
Nikkaji: J88.967I

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 59.5

물리화학적 성질

녹는점: 58 · 58-62 °C (lit.)
끓는 점: 107 · 107-108 °C/15 mmHg (lit.)
인화점: 107 · 107-108°C/15mm
저장 조건: 2 · 2-8°C
용해도: 톨루엔에 용해되며 매우 희미한 탁도를 나타냅니다.
물리적 상태: 고체
색상: Orange to Brown to Dark purple
냄새: unpleasant smell.
BRN: 2039772 · 2039772
InChI: InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H
InChIKey: LCEFEIBEOBPPSJ-UHFFFAOYSA-N
SMILES: [Se](C1=CC=CC=C1)Br

화학적 성질

dark brownish to black crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (84.8%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P390, P391, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPhenylselenyl bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesMet. Corr. 1 (84.8%)

안전 데이터

wgk: 3
ridadr: UN 2928 6.1/PG 2
HS 번호: 29319090
risk_code: 23/25-33-50/53
hazard_code: T,N
safety_code: 20/21-28-45-60-61
포장분류: II
위험 등급: 6.1
F 고인화성물질: 10-21
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Met. Corr. 1STOT RE 2
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야 · 1건

용도Employed in the synthesis of enones by selenenylation of α-cyano ketones with lithium naphthalenide. Phenylselenyl bromide was used in the preparation of exo-2-methyl-7-phenylselenyl-octahydro-8-oxa-2,7b-diaza-dicyclopenta[a,e]pentalene-1,3-dione and endo-2-methyl-7-phenylselanyl-octahydro-8-oxa-2,7b-diaza-dicyclopenta[a,e]pentalene-1,3-dione.