4,4'-Diiodo-1,1'-biphenyl (HCID 76348)

Overview

induces drug metabolism enzymes

Names & identifiers

Preferred name: 4,4'-Diiodo-1,1'-biphenyl
IUPAC: 1-iodo-4-(4-iodophenyl)benzene
English name: 4,4'-Diiodobiphenyl
Molecular formula: C12H8I2
Molecular weight: 406

Names & synonyms

4,4'-Diiodobiphenyl3001-15-84,4'-Diiodo-1,1'-biphenyl1,1'-Biphenyl, 4,4'-diiodo-4,4'-DiiododiphenylDTXSID5062766LLR69F3JMZRefChem:96260DTXCID1038115221-080-51-iodo-4-(4-iodophenyl)benzeneMFCD00001057

Show more names

4,4'-DIODOBIPHENYL4,4'-Diiodbiphenyl4,4'-diiidodiphenyl4,4'-Diiodobiphenyl>4,4'-Diiodobiphenyl,99%

p,p'-Dijoddiphenyl4,4'-diiodo-biphenylBiphenyl, 4,4'-diiodo4,4'-DIIODODOPHENYL, PRACTAKOS003595921AS-145514,4'-Diiodobiphenyl, technical grade, 90%4,4 inverted exclamation mark -Diiodobiphenyl

Database identifiers

CAS: 3001-15-8
PubChem CID: 76348
DTXSID: DTXSID5062766
UNII: LLR69F3JMZ
EC Number: 221-080-5
Nikkaji: J60.939K

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 145

Experimental & physicochemical properties

PolymersOther Classes -> Halogenated Polyaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionCrystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 201 · 201-204 °C(lit.)
Boiling point: 380.9 · 380.9±35.0 °C(Predicted)
Density: 2.041 · 2.041±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in hot Toluene(very faint turbidity).
form: Powder
color: Pale yellow to beige
Sensitive: Light Sensitive
InChI: InChI=1S/C12H8I2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKey: GPYDMVZCPRONLW-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(I)C=C2)=CC=C(I)C=C1
CAS DataBase Reference: 3001 · 3001-15-8(CAS DataBase Reference)
NIST Chemistry Reference: 4 · 4,4'-Diiododiphenyl(3001-15-8)
EPA Substance Registry System: 1 · 1,1'-Biphenyl, 4,4'-diiodo- (3001-15-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-37/38-36-36/37/38
Safety Statements: 36 · 36-37-26
RIDADR: 3152 · UN 3152 9/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 9 · 9
PackingGroup: II
HS Code: 29039990 · 29039990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Limited Quantities: 1 kg · 1.0 kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryInduces drug metabolism enzymes. [ChemIDplus] An irritant; [Alfa Aesar MSDS] See Biphenyl. See 4-Bromobiphenyl.

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
ridadr: UN 3152 9/PG 2
hs_code: 29039990
risk_code: 20/21/22-37/38-36-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 36-37-26
hazard_class: 9
Storage Class: 11 - Combustible Solids
packing_group: II
Hazard statements: H302+H312+H332
Limited Quantities: 1.0 kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Precautionary statements: P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,1'-Biphenyl, 4,4'-diiodo-: ACTIVE

Applications · 3 items

Usessuzuki reaction

UsesIntermediates of Liquid Crystals

Uses4,4-diiodobiphenyl was coupled with (trimethylsilyl) acetylene via a Sonogashira-Hagihara reaction to afford the (trimethylsilyl)ethynyl derivative. 4,4-diiodobipheny enhanced the expression of the luciferase gene.

Upstream & downstream products

Upstream raw materials

Benzene, 1-iodo-4-(trimethylsilyl)-3,3'-BIANISOLE 4-Iodobenzenesulfonohydrazide 2-(3-methoxyphenyl)-5, 5-dimethyl-1,3,2-dioxaborinane 3-Methoxyphenylboronic Acid Pinacol Ester

Downstream products

N,N,N',N'-Tetraphenylbenzidine 4-Iodobiphenyl 1,4-Benzenedipropanal 1-Chloro-4-iodobenzene PYRIDINE, 4,4'-[1,1'-BIPHENYL]-4,4'-DIYLBIS-Biphenyl-4,4'-dithiol 4,4'-DIETHYNYLBIPHENYL N,N'-Di-(4-methyl-phenyl)-benzidine

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南京科朗科技有限公司025-58748998 18951874644 · [email protected]

Related reactions

46 records

New reaction record

HRID 47178As reactantuspto-grants-2004_03

HRID 105249As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 162419As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 373289As reactantuspto-grants-1992_11

HRID 467185As reactantuspto-grants-1992_10

HRID 481933As reactantuspto-grants-1998_08

HRID 532093As reactantuspto-grants-2014_10

HRID 583540As reactantuspto-grants-1999_07

Linked notes

Loading…

Basic information