4-히드록시펜틸 브롬화물

4-(2-Bromoethyl)phenol

HCID 84221CAS 14140-15-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Oc1ccc(CCBr)cc1
InChIKey: DYYVTFCYVZEQDG-UHFFFAOYSA-N
분자식: C8H9BrO
평균 분자량: 201.06 g/mol
단동위원소 질량: 199.98367701

이름 및 식별자

우선 이름: 4-(2-Bromoethyl)phenol
IUPAC: 4-(2-bromoethyl)phenol
현지명: 4-히드록시펜틸 브롬화물
영어명: 4-(2-Bromoethyl)phenol
분자식: C8H9BrO
분자량: 201.06

이름 및 동의어

4-(2-Bromoethyl)phenol14140-15-9EINECS 237-989-5I61CD92KW5UNII-I61CD92KW5DTXSID50161716RefChem:97039DTXCID7084207237-989-54-Hydroxyphenethyl bromideMFCD00129679PHENOL, 4-(2-BROMOETHYL)-

이름 더 보기

4-히드록시펜틸브롬화물4-(2-브로모에틸)페놀AKOS 228-264-(2-Bromoethyl)phenol 98%4-Hydroxyphenethyl bromide 96%4-HYDROXY-1-(2-BROMOETHYL)BENZENE2-(4-HYDROXYPHENYL)-1-BROMOETHANE2-(4-Hydroxyphenyl)-1-bromoethane, 4-(2-Bromoethyl)phenol, 4-Hydroxy-1-(2-bromoethyl)benzene

Phenol, 4-bromoethyl-2-p-hydroxyphenylethyl bromide2-(4-hydroxyphenyl)ethyl bromide4-Hydroxyphenethyl bromide, 96%CS-W004888SY020164EN300-18962224-(2-Bromo-ethyl)-phenol

데이터베이스 식별자

CAS: 14140-15-9
PubChem CID: 84221
DTXSID: DTXSID50161716
ChEMBL: CHEMBL24838
UNII: I61CD92KW5
EC Number: 237-989-5
Nikkaji: J216.879K

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 87.3

물리화학적 성질

녹는점: 88 · 88-92 °C(lit.)
끓는 점: 276.5 · 276.5±15.0℃ (760 Torr)
밀도: 1.501 · 1.501±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 121.1 · 121.1±20.4℃
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 9.91 · 9.91±0.15(Predicted)
색상: 흰색에서 황백색까지
InChI: InChI=1S/C8H9BrO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6H2
InChIKey: DYYVTFCYVZEQDG-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(CCBr)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.