4,4'-Bis(bromomethyl)biphenyl

HCID 621238CAS 20248-86-6

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Grundinformationen

Standard-SMILES: BrCc1ccc(-c2ccc(CBr)cc2)cc1
InChIKey: HMUGRILXVBKBID-UHFFFAOYSA-N
Summenformel: C14H12Br2
Durchschnittliche Molmasse: 340,05 g/mol
Monoisotopische Masse: 337,93057458

Namen und Bezeichner

Bevorzugter Name: 4,4'-Bis(bromomethyl)biphenyl
IUPAC: 1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene
Englischer Name: 4,4'-Bis(bromomethyl)biphenyl
Summenformel: C14H12Br2
Molmasse: 340.05

Namen und Synonyme

20248-86-64,4'-Bis(bromomethyl)biphenylDTXSID50347417RefChem:506565DTXCID40298489663-347-24,4'-Bis(bromomethyl)-1,1'-biphenyl1,1'-Biphenyl, 4,4'-bis(bromomethyl)-4,4-BIS(BROMOMETHYL)BIPHENYL1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzeneMFCD000944194,4'-Bis-bromomethyl-biphenyl

Weitere Namen anzeigen

4，4'-Bis(bromomethyl)-1，1'-biphenyl4,4'-Bis(bromomethylBisbromomethylbiphenyl4,4-dibromethylbiphenylα,α′-Dibromo-p,p′-bitolyl4,4'-Bis(bromomethyl)biphenyl >4,4''-BIS(BROMOMETHYL)BIPHENYL 98%

SCHEMBL6796264,4'-bis (bromomethyl) biphenylAKOS000567105B19214,4 inverted exclamation mark -Bis(bromomethyl)biphenylALPHA,ALPHA'-DIBROMO-P,P'-BITOLYL4,4'-Bis(bromomethyl)-1,1'-biphenyl; 1-(Bromomethyl)-4-[4-(bromomethyl)phenyl]benzene; 4,4'-Bis(bromomethyl) Diphenyl; 4,4'-Bis(bromomethyl)biphenyl; 4,4'-Di(bromomethyl)-1,1'-biphenyl; a,a'-Dibromo-p,p'-ditolylFT-0637962

Datenbank-Bezeichner

CAS: 20248-86-6
PubChem CID: 621238
DTXSID: DTXSID50347417
UNII: 2A5BED29C6
EC Number: 663-347-2
Nikkaji: J950.656J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,5
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 167

Physikochemische Eigenschaften

Schmelzpunkt: 169 to · 169.0 to 173.0 °C
Siedepunkt: 399.8 · 399.8±37.0 °C(Predicted)
Dichte: 1.591 · 1.591±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Solid
Farbe: White to Off-White
BRN: 2444585 · 2444585
InChI: InChI=1S/C14H12Br2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
InChIKey: HMUGRILXVBKBID-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(CBr)C=C2)=CC=C(CBr)C=C1
CAS Datenbank: 20248 · 20248-86-6

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.4%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3261 8 / PGIII
hs_code: 29039990
risk_code: 36/37/38-50/53-34-22
hazard_code: C,N
safety_code: 26-36/37/39-61-60-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Corr. 1B