Basic information
- CAS
1591-31-7- Standard SMILES
Ic1ccc(-c2ccccc2)cc1- InChIKey
NXYICUMSYKIABQ-UHFFFAOYSA-N- Molecular formula
- C12H9I
- Average molar mass
- 280.1 g/mol
- Monoisotopic mass
- 279.97489829
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 4-Iodobiphenyl
- IUPAC
- 1-iodo-4-phenylbenzene
- English name
- 4-Iodobiphenyl
- Molecular formula
- C12H9I
- Molecular weight
- 280.1
Names & synonyms
4-IODOBIPHENYL1591-31-71,1'-Biphenyl, 4-iodo-p-Iodobiphenyl4-Biphenyl iodideBiphenyl, 4-iodo-AI3-15372NSC-37916AN2BA2TAVDTXSID7061807RefChem:524247DTXCID4035122
Show more names
4-Phenyliodobenzene4-Iodbiphenyl4-Iodobipheny4- IodophenylP-IODODIPHENYLMONOIODOBIPHENYL4-Iodobiphenyl>
216-469-14-Iodo-1,1'-biphenyl1-iodo-4-phenylbenzenep-Phenyliodobenzene4-IododiphenylMFCD000190284-iodo-1-phenylbenzene1-iodo-4-phenyl-benzene
Database identifiers
- CAS
1591-31-7- PubChem CID
- 15322
- DTXSID
DTXSID7061807- UNII
- 6AN2BA2TAV
- EC Number
- 216-469-1
- Nikkaji
- J96.175B
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 110 · 110-114 °C
- Boiling point
- 320 °C · 320°C(lit.)
- Density
- 1.6696 · 1.6696 (rough estimate)
- refractive index
- 1.76 · 1.7600 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Crystalline Powder
- color
- Off-white
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Light Sensitive
- InChI
- InChI=1S/C12H9I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
- InChIKey
- NXYICUMSYKIABQ-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC=C2)=CC=C(I)C=C1
- CAS DataBase Reference
- 1591 · 1591-31-7(CAS DataBase Reference)
- FDA UNII
- 6 AN2BA2TAV · 6AN2BA2TAV
- NIST Chemistry Reference
- 1 · 1,1'-Biphenyl, 4-iodo-(1591-31-7)
- EPA Substance Registry System
- 1 · 1,1'-Biphenyl, 4-iodo- (1591-31-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H410
- Precautionary statements
- 264 · P264-P270-P273-P280-P301+P312-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,N,Xi
- Risk Statements
- 22 · 22-41-50/53-36/37/38
- Safety Statements
- 26 · 26-39-60-61-37/39
- RIDADR
- 3077 · UN 3077 9/PG 3
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29039990 · 29039990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (89.1%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29039990
- risk_code
- 22-41-50/53-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- Xn,N,Xi
- safety_code
- 26-39-60-61-37/39
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302-H318-H410
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1
- Precautionary statements
- P264-P270-P273-P280-P301+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,1'-Biphenyl, 4-iodo-: ACTIVE
Applications
Uses4-Iodobiphenyl is used as a starting material for the preparation of p-terphenyl derivatives. It is also used in Suzuki reaction.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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北京环宇世纪化学科技有限公司hysj_bj.com
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HBCChem, Inc.+1-510-219-6317 · [email protected]
嘉兴诺华化工有限公司18957373295
Related reactions
23 records
Compound notes
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