CAS 14473-91-7 m-Bromocinnamic acid (HCID 776461)

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Grundinformationen

CAS: 14473-91-7
Standard-SMILES: O=C(O)/C=C/c1cccc(Br)c1
InChIKey: YEMUSDCFQUBPAL-SNAWJCMRSA-N
Summenformel: C9H7BrO2
Durchschnittliche Molmasse: 227,05 g/mol
Monoisotopische Masse: 225,96294

Namen und Bezeichner

Bevorzugter Name: m-Bromocinnamic acid
IUPAC: (E)-3-(3-bromophenyl)prop-2-enoic acid
Englischer Name: 3-BROMOCINNAMIC ACID
Summenformel: C9H7BrO2
Molmasse: 227.05

Namen und Synonyme

M-BROMOCINNAMIC ACID3-(3-Bromophenyl)-2-propenoic acid2-Propenoic acid, 3-(3-bromophenyl)-(2E)-3-(3-bromophenyl)prop-2-enoic acidDTXSID4067729RefChem:800351DTXCID0038594(2E)-3-(3-Bromophenyl)-2-propenoic acid251-267-7678-051-93-Bromocinnamic acid32862-97-8

Weitere Namen anzeigen

AKOS B004044AKOS BBS-00006566RARECHEM BK HC T307BROMOCINNAMIC ACID,3-(E)-3-Bromocinnamic AcidM-BROMOPHENYLACRYLIC ACIDitransi-3-BromocinnamicAcitrans-3-Bromocinnamic Acid >

14473-91-7trans-3-Bromocinnamic acid(E)-3-(3-BROMOPHENYL)ACRYLIC ACID3-(3-Bromophenyl)acrylic acidCinnamic acid, m-bromo-BW A800U(2E)-3-(3-bromophenyl)acrylic acid(E)-3-(3-bromophenyl)prop-2-enoic acid

Datenbank-Bezeichner

CAS: 14473-91-7、32862-97-8
PubChem CID: 776461
DTXSID: DTXSID301034663
EC Number: 251-267-7、678-051-9
Nikkaji: J1.276.282H、J55.413H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 189

Physikochemische Eigenschaften

Schmelzpunkt: 177 · 177-179 °C(lit.)
Siedepunkt: 344.1 · 344.1±25.0 °C(Predicted)
Dichte: 1.607 · 1.607±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: powder to crystal
pka: 4.27 · 4.27±0.10(Predicted)
Farbe: White to Almost white
Wasserlöslichkeit: Insoluble in water.
BRN: 2084230 · 2084230
InChIKey: YEMUSDCFQUBPAL-SNAWJCMRSA-N
CAS Datenbank: 14473 · 14473-91-7(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Propenoic acid, 3-(3-bromophenyl)-, (2E)- (14473-91-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 42 reports by companies from 5 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.