2-Bromobiphenyl

HCID 16329CAS 2052-07-5

Basic information

Standard SMILES
Brc1ccccc1-c1ccccc1
InChIKey
KTADSLDAUJLZGL-UHFFFAOYSA-N
Molecular formula
C12H9Br
Average molar mass
233.1 g/mol
Monoisotopic mass
231.98876239

Overview

2-bromobiphenyl is a clear liquid. Insoluble in water. (NTP, 1992)

Names & identifiers

Preferred name
2-Bromobiphenyl
IUPAC
1-bromo-2-phenylbenzene
English name
2-Bromobiphenyl
Molecular formula
C12H9Br
Molecular weight
233.1

Names & synonyms

2-Bromobiphenyl2-Bromo-1,1'-biphenyl1,1'-Biphenyl, 2-bromo-1-bromo-2-phenylbenzeneO-BROMOBIPHENYLBiphenyl, 2-bromo-2-BromodiphenylDTXSID0024638m-biphenyl bromide2-BIPHENYLYL BROMIDEGXS4234YXD2-biphenyl bromide
Show more names
PBB NO 12-Brombiphenyl2- BromobenzeneBROMOBIPHENYL(2-)
CCRIS 5888EINECS 218-141-3NSC 67353NSC-67353BROMOBIPHENYL, 2-UNII-GXS4234YXD2-PHENYLBROMOBENZENEPBB 1

Database identifiers

CAS
2052-07-5
PubChem CID
16329
DTXSID
DTXSID0024638
ChEMBL
CHEMBL1462584
UNII
GXS4234YXD
EC Number
218-141-3
Nikkaji
J95.603A

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
13

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.59
Density1.2175 (NTP, 1992) - Denser than water; will sink
SolubilityInsoluble (NTP, 1992)
Boiling Point565 to 568 °F at 760 mmHg (NTP, 1992)
Melting Point34.7 to 35.6 °F (NTP, 1992)

Physicochemical properties

Melting point
1.5 · 1.5-2 °C(lit.)
Boiling point
297 · 297-298 °C(lit.)
Density
1.352 g/mL · 1.352 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.628(lit.)
Flash point
113 °C · 113 °C
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 6.2% (2 of 32) of reports.

Warning

H315 (93.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 32 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

S - indicates a substance that is identified in a final Significant New Use Rule.

Status: Active Update: 10-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30357

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAryl Halides
Reactivity Profile2-BROMOBIPHENYL is sensitive to light. Low reactivity. (NTP, 1992)
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (93.8%)

Safety & protection

Fire FightingFires involving this material should be controlled using a dry chemical carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Safety data

wgk
3
tsca
TSCA listed
hs_code
29036990
risk_code
36/37/38-20/21/22
Signal word
Danger
Symbol(GHS)
GHS07,GHS08,GHS09

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,1'-Biphenyl, 2-bromo-: ACTIVE
Applications · 4 items

Description2-Bromobiphenyl is an important intermediate, which can be used to synthesize 2,2'-dibromo-9,9'-spirobifluorene, 3-bromo-9-(9-phenylfluoren-9-yl)carbazole and phenanthrene compounds.

Uses2-Bromobiphenyl can be used as reference compound to investigate extraction efficiency of solid-phase microextraction fibers, based on methacrylic acid-trimethylolpropanetrimethacrylate copolymers.

UsesIt is used as an intermediate of organic synthesis and pharmaceutical. It also can react with norborn-2-ene to get 5-phenyl-1,2,3,4,4a,8b-hexahydro-1,4-methanobiphenylene, in synthesis of a novel trispirocyclic hydrocarbon. It is used as a reference compound to investigate extraction efficiency of solid-phase micro extraction fibers, based on methacrylic acid-trimethylolpropanetrimethacrylate copolymers.

General DescriptionClear liquid. Insoluble in water.

Suppliers50 total

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]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

260 records

Linked notes

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