5-Bromosalicylic acid (HCID 6972)

Namen und Bezeichner

Bevorzugter Name: 5-Bromosalicylic acid
IUPAC: 5-bromo-2-hydroxybenzoic acid
Lokaler Name: 5-Bromsalicylsure
Englischer Name: 5-Bromosalicylic acid
Summenformel: C7H5BrO3
Molmasse: 217.02

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 159 · 159-162 °C (lit.)
Siedepunkt: 338.1 · 338.1±32.0 °C(Predicted)
Dichte: 1.7097 · 1.7097 (rough estimate)
Brechungsindex: 1.456 · 1.4560 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Powder
pka: 1 · pK1:2.61 (25°C)
Farbe: White to slightly beige
Wasserlöslichkeit: Soluble
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
CAS Datenbank: 89 · 89-55-4(CAS DataBase Reference)
NIST chemische Informationen: 5 · 5-Bromosalicylic acid(89-55-4)
EPA chemische Informationen: 5 · Benzoic acid, 5-bromo-2-hydroxy- (89-55-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29182900
RTECS-Nr.: VO1850000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen

Verwenden5-Bromosalicylic acid may be employed as a starting reagent for the synthesis of honokiol, a biphenyl-type neolignan.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

5-Bromosalicylamide Propanamide, N-methyl-N-phenyl-3-Bromo-2-hydroxybenzoic acid 2-Benzyloxy-5-bromo-benzoic acid methyl 5-bromo-2-methoxybenzoate 4-Bromo-2-[(3,5-dichloroanilino)methyl]benzenol 5-bromo-2-[(2-fluorobenzyl)oxy]benzoic acid 4-Hydroxy-4'-methoxy-biphenyl-3-carboxylic acid 5-(Methylthio)salicylic acid)5-bromo-2-[(4-chlorobenzyl)oxy]benzoic acid 5-bromo-2-[(3-chlorobenzyl)oxy]benzoic acid

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海拓磊化学试剂有限公司86-021-50318510

Zugehörige Reaktionen

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Reaktionsaufzeichnung erstellen

HRID 87667als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

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HRID 94761als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 99662als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 103802als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

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HRID 111912als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

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