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Home> Encyclopedia >   /  Pharmaceuticals and Biochemicals  /  Laboratory Chemicals  /  Basic Organic Chemicals  /  Custom Manufacturing  /  Daily Chemicals
92-86-4 structure

4,4'-Dibromobiphenyl

Iupac Name:1-bromo-4-(4-bromophenyl)benzene
CAS No.:92-86-4
EINECS(EC#): 202-198-6
Molecular Weight:312.004
Molecular Formula:C12H8Br2 (isomer)
1. Names and Identifiers
1.1 Synonyms

1, 4,4'-dibromo- 1,1 inverted exclamation mark -(biphenyl,4,4 inverted exclamation mark -dibromo- 1,1’-(biphenyl,4,4’-dibromo- 1,1’-biphenyl,,4’-dibromo-(4,4’-bromobiphenyl) 1,1’-biphenyl,,4’-dibromo-(4,4’-dibromobiphenyl) 1,1’-Biphenyl,4,4’-dibromo- 1,1'-biphenyl, 4,4'-dibromo- 1-bromo-4-(4-bromophenyl)benzene 1-bromo-4-(4-bromophenyl)-benzene 4, 4'-dibromobiphenyl 4,4/'-dibromobiphenyl 4,4’-dibromo-1’-biphenyl 4,4'-dibrombiphenyl 4,4'-dibromo biphenyl 4,4'-dibromo-1,1'-biphenyl 4,4'-dibromo-1,1'-biphenyl # 4',4-dibromobiphenyl 4,4'-dibromo-biphenyl 4,4'-dibromobiphenyl homopolymer 4,4'-dibromobiphenyl, 98% 4,4'-Dibromobiphenyl, 99% 4,4'-dibromobiphenyl, analytical standard 4,4'-dibromodiphenyl 4,4'-dibromophenyl 4-bromo-1-(4-bromophenyl)benzene 92-86-4 A2375/0100447 AB0007761 AC1L1O14 AC1Q26UV AC-4954 ACMC-209RI0 ACN-S002704 AI3-17378 AJ-20655 AKOS001094738 AN-11497 ANW-39910 ARONIS24127 AS01424 AS-11941 BC003389 BC674988 biphenyl, 4,4'-dibromo- biphenyl, 4,4'-dibromo- (8ci) biphenyl, 4,4'-dibromo-, polymers biphenyl,4'-dibromo- CHEMBL8166 CJ-03275 CS-D1359 CTK3I6680 CX1325 D1695 DTXSID1059072 EINECS 202-198-6 FT-0616995 HQJQYILBCQPYBI-UHFFFAOYSA-N I01-1628 InChI=1/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8 KB-35446 KS-00000ETX KSC486M8B LS10221 MCULE-1163499945 mfcd00000101 MOLPORT-000-875-342 NSC 2098 nsc2098 nsc-2098 p,p'-dibromobiphenyl PBB 15 pbb 15 (4,4'-dibromobiphenyl) PBB No. 15 pbb-15 PBB-NO 15 PBB-No. 15 10 microg/mL in Isooctane POU26V2XT2 PubChem8919 Q-101202 SBB080623 SC-15559 SCHEMBL68094 ST24023020 ST4059337 ST45021366 STK663245 TC-128655 TL8005902 TRA0049198 UNII-LK7Y8OHE67 COMPONENT HQJQYILBCQPYBI-UHFFFAOYSA-N unii-pou26v2xt2 Z-0184 ZB011552 zerenex zx-as001261 ZINC388501

1.2 Inchi
InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
1.3 InChkey
HQJQYILBCQPYBI-UHFFFAOYSA-N
1.4 Canonical Smiles
C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br
1.5 Isomers Smiles
C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br
2. 3D Conformer
3. Properties
3.1 Appearance
White powder
3.2 Density
1.667
3.3 Melting Point
166-169℃
3.4 Boiling Point
355-360℃
3.5 Refractive Index
1.625
3.6 Flash Point
198.3 °C
3.7 Solubility
Insoluble
3.8 Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
3.8 Stability
3.9 HS Code
29036990
3.10 Storage temp
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
4. Safety and Handling
4.1 Hazard Codes
Xi
4.2 Risk Statements
R36/37/38
4.3 Safety Statements
S26;S37/39
4.4 HazardClass
9
4.4 Safety

The Hazard Codes of 4,4'-Dibromobiphenyl (CAS NO.92-86-4):?IrritantXi,HarmfulXn,?DangerousN
Risk Statements information:
22:? Harmful if swallowed?
36:? Irritating to the eyes?
40:? Limited evidence of a carcinogenic effect?
41:? Risk of serious damage to eyes?
36/37/38:? Irritating to eyes, respiratory system and skin?
37/38:? Irritating to respiratory system and skin?
50/53:? Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment?
Safety Statements information:
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
37:? Wear suitable gloves?
39:? Wear eye/face protection?
60:? This material and/or its container must be disposed of as hazardous waste?
61:? Avoid release to the environment. Refer to special instructions safety data sheet?
36/37:? Wear suitable protective clothing and gloves?
37/39:? Wear suitable gloves and eye/face protection?
RIDADR: 3152
WGK Germany: 1
HazardClass: 9
PackingGroup: II

4.5 PackingGroup
II
4.6 Transport
3152
4.7 Specification

? 4,4'-Dibromobiphenyl , with CAS number of 92-86-4, can be called 1,1'-biphenyl, 4,4'-dibromo- ; 4,4'-Dibromo-1,1'-biphenyl ; p,p'-Dibromobiphenyl . It is a?white powder.?4,4'-Dibromobiphenyl (CAS NO.92-86-4) is used as electronic chemicals.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

Carcinogenicity, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H318 Causes serious eye damage

H335 May cause respiratory irritation

H351 Suspected of causing cancer

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P391 Collect spillage.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. NMR Spectrum
9. Computational chemical data
  • Molecular Weight:312.004g/mol
  • Molecular Formula:C12H8Br2
  • Compound Is Canonicalized:True
  • XLogP3-AA:5.7
  • Exact Mass:311.897
  • Monoisotopic Mass:309.899
  • Complexity:145
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwAAAAGAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGABAAAABrACAGAAwAIAAAACA AiBCAAACAAAgAAQIiAAAAKgIICKAERCAIAAggAAIihcAgMAOggAAAAAAAAAEAAAAAAAAAAAAAAAA AA==
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