Basic information
- Standard SMILES
Oc1ccccc1I- InChIKey
KQDJTBPASNJQFQ-UHFFFAOYSA-N- Molecular formula
- C6H5IO
- Average molar mass
- 220.01 g/mol
- Monoisotopic mass
- 219.93851278
Overview
2-iodophenol is an iodophenol and a 2-halophenol.
Names & identifiers
- Preferred name
- 2-Iodophenol
- IUPAC
- 2-iodophenol
- English name
- 2-Iodophenol
- Molecular formula
- C6H5IO
- Molecular weight
- 220.01
Names & synonyms
2-IODOPHENOL533-58-4o-IodophenolPhenol, 2-iodo-DTXSID5052175F27L34A8B9NSC-9245CHEBI:16706ortho-iodophenolRefChem:855273DTXCID5030745208-569-9
Show more names
DK807NSC 92452-iodo-phenoo-iodo-pheno2-lodophenol
Phenol, o-iodo-2-iodanylphenolo-Jodphenolo-Jodfenol2-JodfenolMFCD00013963Iodophenol2-Jodphenol
Database identifiers
- CAS
30587-23-6、533-58-4- PubChem CID
- 10784
- DTXSID
DTXSID5052175- ChEMBL
CHEMBL225564- ChEBI
CHEBI:16706- UNII
- F27L34A8B9
- EC Number
- 208-569-9
- Nikkaji
- J53.758F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Phenols
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Vapor Pressure0.00616 [mmHg]
Physical DescriptionSolid; [Merck Index] Pink or yellow crystalline powder; [Acros Organics MSDS]
Collision Cross Section121.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5052175]
Physicochemical properties
- Melting point
- 37 · 37-40 °C (lit.)
- Boiling point
- 186 · 186-187 °C/160 mmHg (lit.)
- Density
- 1.947 g/mL · 1.947 g/mL at 25 °C (lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Crystalline Powder or Crystalline Low Melting Mass
- pka
- 8.51 · 8.51(at 25℃)
- color
- White or cream to brown
- Specific Gravity
- 1.947 · 1.947
- Water Solubility
- slightly soluble
- Sensitive
- Light Sensitive
- Merck
- 14 · 14,5035
- BRN
- 1855300 · 1855300
- Henry's Law Constant
- 1.4 · 1.4×101 mol/(m3Pa) at 25℃, Abraham et al. (1994)
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H
- InChIKey
- KQDJTBPASNJQFQ-UHFFFAOYSA-N
- SMILES
- Oc1ccccc1I
- CAS DataBase Reference
- 533 · 533-58-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 27 L34A8B9 · F27L34A8B9
- NIST Chemistry Reference
- 2 · Phenol, 2-iodo-(533-58-4)
- EPA Substance Registry System
- 2 · Phenol, 2-iodo- (533-58-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- RTECS
- 5500000 · SL5500000
- TSCA
- TSCA listed
- HazardClass
- IRRITANT, LIGHT SENSITIVE
- HS Code
- 29081000 · 29081000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 2-iodo-
2-Iodophenol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Acros Organics MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (87.2%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SL5500000
- hs_code
- 29081000
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT, LIGHT SENSITIVE
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesModel for radioiodinated proteins. [ChemIDplus]
General Manufacturing InformationPhenol, 2-iodo-: ACTIVE
Applications
Uses2-Iodophenol is used in the synthesis of aryl 2-benzofuranyl and aryl 2-indolyl carbinols of high enantiomeric purity and 3,3-disubstituted-2,3-dihydrobenzofurans. Coupling with phenylacetylene in the presence of a Pd complex and CuI gives 2-phenylbenzofuran in good yield.
General DescriptionRapid palladium-catalyzed carbonylative cyclization reactions of 2-iodophenol with various alkyne under microwave irradiation using Mo(CO)6 as the CO source has been investigated.
Preparation methods
Preparationsynthesis of 2-iodophenol: phenol (1a) to react with 0.5 equivalent of iodine and 1 equivalent of hydrogen peroxide in water at room temperature for 24 h, 2,6-diiodophenol (2a) and 2-iodophenol (3) were isolated in yields of 21 and 49%, respectively.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
武汉科美沃化工有限公司027-85736489 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
Clearsynth Labs Limited+91-22-26355700 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海湄水化工科技有限公司021-60549325 18616193163
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
晟斯化工科技（上海）有限公司+86 13590492756 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Additional notes
DefinitionChEBI: 2-iodophenol is a 2-halophenol and an iodophenol.
Related reactions
102 records
Linked notes
Loading…