CAS 5498-31-7 4-Bromo-2-naphthol (HCID 12115596)

기본 정보

CAS: 5498-31-7
표준 SMILES: Oc1cc(Br)c2ccccc2c1
InChIKey: PQNQMYMGUXGWTG-UHFFFAOYSA-N
분자식: C10H7BrO
평균 분자량: 223.07 g/mol
단동위원소 질량: 221.96803

이름 및 식별자

우선 이름: 4-Bromo-2-naphthol
IUPAC: 4-bromonaphthalen-2-ol
영어명: 4-bromonaphthalen-2-ol
분자식: C10H7BrO
분자량: 223.07

이름 및 동의어

5498-31-74-Bromo-2-naphtholDTXSID40477818RefChem:290772DTXCID404286281-Bromo-3-hydroxynaphthalene4-bromonaphthalen-2-ol4-Bromo-2-naphthalenolMFCD017122602-Naphthalenol, 4-bromo-4-Bromo-naphthalen-2-ol4-bromonapthalen-2-ol

이름 더 보기

4-bromonaphthalen-2-ol ISO 9001：2015 REACH

1-bromo-naphtalen-3-ol2-Naphthol, 4-bromo-1-bromo-naphtalene-3-ol4-Brom-2-oxy-naphthalinSCHEMBL1055937SCHEMBL15352189SCHEMBL30049245SCHEMBL30643782

데이터베이스 식별자

CAS: 5498-31-7
PubChem CID: 12115596
DTXSID: DTXSID40477818
EC Number: 983-151-3
Nikkaji: J1.074.214E

물성

구조 계산 물성

XLogP: 3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 122 °C · 122 °C
끓는 점: 346.8 · 346.8±15.0 °C(Predicted)
밀도: 1.614 · 1.614±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 8.76 · 8.76±0.40(Predicted)
색상: 흰색에서 황백색까지
InChI: InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H
InChIKey: PQNQMYMGUXGWTG-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC=C2)=C(Br)C=C1O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H332 (50%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.