2-브로모-6-하이드록시벤잘데하이드

2-Bromo-6-hydroxybenzaldehyde

HCID 11954768CAS 22532-61-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1c(O)cccc1Br
InChIKey: LQTXMBDCLHZDAM-UHFFFAOYSA-N
분자식: C7H5BrO2
평균 분자량: 201.02 g/mol
단동위원소 질량: 199.94729

이름 및 식별자

우선 이름: 2-Bromo-6-hydroxybenzaldehyde
IUPAC: 2-bromo-6-hydroxybenzaldehyde
현지명: 2-브로모-6-하이드록시벤잘데하이드
영어명: 2-Bromo-6-hydroxybenzaldehyde
분자식: C7H5BrO2
분자량: 201.02

이름 및 동의어

2-BROMO-6-HYDROXYBENZALDEHYDE22532-61-2DTXSID30474659RefChem:257466DTXCID20425473696-195-0MFCD08234722Benzaldehyde, 2-bromo-6-hydroxy-6-bromo-2-hydroxybenzaldehydeCL8260AKOS005257158CS-W001122

이름 더 보기

2-브로모-6-하이드록시벤잘데하이드2-Bromo-6-hydroxybenzaldehyd3-BroMo-2-forMylphenol2-bromo-hydroxybenzaldehyde2-hydroxy-6-bromobenzaldehydeBenzaldehyde,2-broMo-6-hydroxy-3-Bromo-2-formylphenol, 6-Bromosalicylaldehyde

AB43626PS-5659SY024446EN300-116695Z12691757286-BROMOSALICYLALDEHYDE2-bromo-6-hydroxy-benzaldehyde6-Bromosalicylaldehyde; 2-Bromo-6-hydroxybenzaldehyde; 2-Hydroxy-6-bromobenzaldehyde; 6-Bromo-2-hydroxybenzaldehyde; 6-Bromosalicylaldehyde

데이터베이스 식별자

CAS: 22532-61-2
PubChem CID: 11954768
DTXSID: DTXSID30474659
EC Number: 696-195-0
Nikkaji: J1.399.370J

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 127

물리화학적 성질

녹는점: 50 · 50-52 °C
끓는 점: 243.4 · 243.4±20.0 °C(Predicted)
밀도: 1.737 · 1.737±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 7.21 · 7.21±0.10(Predicted)
색상: 연노랑
InChI: InChI=1S/C7H5BrO2/c8-6-2-1-3-7(10)5(6)4-9/h1-4,10H
InChIKey: LQTXMBDCLHZDAM-UHFFFAOYSA-N
SMILES: C(=O)C1=C(O)C=CC=C1Br

화학적 성질

light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 3 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (33.3%)；Eye Irrit. 2 (33.3%)；Acute Tox. 4 (100%)；STOT SE 3 (33.3%)