5-Bromosalicylic acid (HCID 6972)

이름 및 식별자

우선 이름: 5-Bromosalicylic acid
IUPAC: 5-bromo-2-hydroxybenzoic acid
영어명: 5-Bromosalicylic acid
분자식: C7H5BrO3
분자량: 217.02

이름 및 동의어

5-Bromosalicylic acid5-Bromo-2-hydroxybenzoic acid89-55-4Benzoic acid, 5-bromo-2-hydroxy-5-bromo-2-hydroxy-benzoic acidSALICYLIC ACID, 5-BROMO-2-Hydroxy-5-bromobenzoic acidBenzoic acid, 3-bromo-6-hydroxy-EINECS 201-917-0AI3-22146NSC 3981BRN 2209121

이름 더 보기

5-BromosaL5-Bromosalicyclic acid5-broMo-acidAURORA KA-2535RARECHEM AL BO 07585-bromo-salicylicaciLABOTEST-BB LT000531455-BROMOSALICCYLIC ACID

NSC-39816907950MYK4-10-00-00217 (Beilstein Handbook Reference)DTXSID90589935-BROMOSALICYLIC ACID [WHO-DD]RefChem:534124DTXCID7048661201-917-0

데이터베이스 식별자

CAS: 89-55-4
PubChem CID: 6972
DTXSID: DTXSID9058993
ChEMBL: CHEMBL3278558
UNII: 6907950MYK
EC Number: 201-917-0
Nikkaji: J54.306C

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 159 · 159-162 °C (lit.)
끓는 점: 338.1 · 338.1±32.0 °C(Predicted)
밀도: 1.7097 · 1.7097 (rough estimate)
굴절률: 1.456 · 1.4560 (estimate)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 가루
산도 계수 (pKa): 1 · pK1:2.61 (25°C)
색상: 흰색에서 약간 베이지색
수용성: 녹는
BRN: 2209121 · 2209121
InChI: InChI=1S/C7H5BrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey: IEJOONSLOGAXNO-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(Br)=CC=C1O
NIST: 5 · 5-Bromosalicylic acid(89-55-4)
EPA: 5 · Benzoic acid, 5-bromo-2-hydroxy- (89-55-4)

화학적 성질

WHITE TO SLIGHTLY BEIGE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: VO1850000
HS 번호: 29182900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-36
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 5-bromo-2-hydroxy-: ACTIVE

응용 분야 · 2건

용도5-Bromosalicylic acid may be employed as a starting reagent for the synthesis of honokiol, a biphenyl-type neolignan.

일반 설명5-Bromosalicylic acid is a salicylic acid derivative. Its bonding to viscose fabric can impart antibacterial properties to the fabric. It has been identified as one of the brominated disinfection byproduct (Br-DBP) formed during the chlorination of saline sewage effluents.