2-Brombenzoesure

2-Bromobenzoic acid

HCID 6940CAS 25638-04-4
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Grundinformationen

Standard-SMILES
O=C(O)c1ccccc1Br
InChIKey
XRXMNWGCKISMOH-UHFFFAOYSA-N
Summenformel
C7H5BrO2
Durchschnittliche Molmasse
201,02 g/mol
Monoisotopische Masse
199,94729

Namen und Bezeichner

Bevorzugter Name
2-Bromobenzoic acid
IUPAC
2-bromobenzoic acid
Lokaler Name
2-Brombenzoesure
Englischer Name
2-Bromobenzoic acid
Summenformel
C7H5BrO2
Molmasse
201.02

Namen und Synonyme

2-BROMOBENZOIC ACID88-65-3o-Bromobenzoic acidBenzoic acid, 2-bromo-Benzoic acid, o-bromo-AZ789TZS4LNSC-6976DTXSID3038690RefChem:467214DTXCID1018690201-848-62-Bromobenzoate
Weitere Namen anzeigen
2-BromobenzoicEINECS2Pramipexol 61bromobenzoicacid2-Brombenzoesure2-BROMO BENZOIC A2-bromo-benzoicaci
Bromobenzoic acidMFCD00002402Benzoic acid, bromo-2-Bromobenzoic aicd2-bromo benzoic acid2-Bromo-benzoic acid25638-04-42-Bromobenzoicacid

Datenbank-Bezeichner

CAS
25638-04-4、88-65-3
PubChem CID
6940
DTXSID
DTXSID3038690
ChEMBL
CHEMBL115950
UNII
AZ789TZS4L
EC Number
201-848-6
Nikkaji
J94.961B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Vapor Pressure0.000827 [mmHg]
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]
Kovats Retention Index1459

Physikochemische Eigenschaften

Schmelzpunkt
147 · 147-150 °C (lit.)
Siedepunkt
86 °C · 86 °C(Press: 4-5 Torr)
Dichte
1 · 1,929 g/cm3
Dampfdruck
1 mm · >1 mm Hg ( 20 °C)
Brechungsindex
1.608 · 1.6080 (estimate)
Flammpunkt
100 °C · >100°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (94%): 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, 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 50 reports by companies from 9 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

Regulatory Information · 2 Einträge

Chemical: Benzoic acid, 2-bromo-

Benzoic acid, 2-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryOral lethal-dose (rat) > 500 mg/kg; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See o-Chlorobenzoic acid.
Hazard Classes and CategoriesAcute Tox. 4 (80%)；Skin Irrit. 2 (98%)；Eye Irrit. 2 (100%)；STOT SE 3 (94%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Benzoic acid, 2-bromo-

Benzoic acid, 2-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29163900
RTECS-Nr.
DG4448035
risk_code
36/37/38-36-37/38-22
hazard_code
Xi,Xn

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoic acid, 2-bromo-: ACTIVE

Anwendungen

Verwenden2-Bromobenzoic acid was used in the synthesis of new zinc(II) 2-bromobenzoate complex compounds. It was used as the starting reagent in the synthesis of hemilabile benzimidazolyl phosphine ligands.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [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]

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