Basic information
- Standard SMILES
Oc1cccc(F)c1- InChIKey
SJTBRFHBXDZMPS-UHFFFAOYSA-N- Molecular formula
- C6H5FO
- Average molar mass
- 112.1 g/mol
- Monoisotopic mass
- 112.032443
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-Fluorophenol
- IUPAC
- 3-fluorophenol
- English name
- 3-Fluorophenol
- Molecular formula
- C6H5FO
- Molecular weight
- 112.1
Names & synonyms
3-FLUOROPHENOL372-20-3m-FluorophenolPhenol, 3-fluoro-Phenol, m-fluoro-T7OMA38487NSC-87078DTXSID70190684RefChem:501989DTXCID10113175206-748-6MFCD00002254
Show more names
m-Fluorohenol3-Fluorophenole3-Fluoro Phennol3-Fluorophenol>
meta-fluorophenol3-FLUORO-PHENOLRegorafenib Impurity 22UNII-T7OMA38487m-fluoro-phenol3-Fluorphenol3- fluorophenol3-Fluoro phenol
Database identifiers
- CAS
372-20-3- PubChem CID
- 9743
- DTXSID
DTXSID70190684- ChEMBL
CHEMBL57342- UNII
- T7OMA38487
- EC Number
- 206-748-6
- Nikkaji
- J110.444F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- 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
LogP1.82
Vapor Pressure1.19 [mmHg]
Physical DescriptionColorless liquid with an odor like phenol; mp = 12-14 deg C; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 8 · 8-12 °C (lit.)
- Boiling point
- 178 °C · 178 °C (lit.)
- Density
- 1.238 g/mL · 1.238 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.514(lit.)
- Flash point
- 160 °F · 160 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- pka
- 9.29 · 9.29(at 25℃)
- Specific Gravity
- 1.238 · 1.238
- color
- Clear colorless to light yellow-brownish
- Water Solubility
- insoluble
- BRN
- 1904536 · 1904536
- Henry's Law Constant
- 9 · 9.0×100 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents, acid halides.
- InChI
- 1S/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8H
- InChIKey
- SJTBRFHBXDZMPS-UHFFFAOYSA-N
- SMILES
- Oc1cccc(F)c1
- CAS DataBase Reference
- 372 · 372-20-3(CAS DataBase Reference)
- FDA UNII
- 7 OMA38487 · T7OMA38487
- NIST Chemistry Reference
- 3 · Phenol, 3-fluoro-(372-20-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi,C,T
- Risk Statements
- 20 · 20/21/22-36/37/38-41-37/38-25
- Safety Statements
- 28 · 28-36/37-36-26-45-39
- RIDADR
- 2810 · UN 2810 6.1/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful/Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29081000 · 29081000
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 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
H301 (79.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information3-Fluorophenol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See 2-Fluorophenol and Phenol.
Hazard Classes and CategoriesAcute Tox. 3 (79.6%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29081000
- risk_code
- 20/21/22-36/37/38-41-37/38-25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi,C,T
- hazard_note
- Harmful/Irritant
- safety_code
- 28-36/37-36-26-45-39
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H315-H319
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 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 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Applications
Uses3-Fluorophenol is a reactant used in organic synthesis.
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]
韶远科技（上海）有限公司021-50795510 4000665055 · [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]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [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]
上海遐瑞医药科技有限公司+86 21 61551611
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [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]
无锡中坤生化科技有限公司+86 0510-85629785
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400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
南京克迪特贸易有限公司025-52164950 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
嘉兴诺华化工有限公司18957373295
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
天津安浩生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
常州天瑞医药科技有限公司0519-85386832 13382812559 · [email protected]
Related reactions
348 records
Linked notes
Loading…