Basic information
- Standard SMILES
Oc1cccc(F)c1F- InChIKey
RPEPGIOVXBBUMJ-UHFFFAOYSA-N- Molecular formula
- C6H4F2O
- Average molar mass
- 130.09 g/mol
- Monoisotopic mass
- 130.02302119
Names & identifiers
- Preferred name
- 2,3-Difluorophenol
- IUPAC
- 2,3-difluorophenol
- English name
- 2,3-Difluorophenol
- Molecular formula
- C6H4F2O
- Molecular weight
- 130.09
Names & synonyms
2,3-DifluorophenolPhenol, 2,3-difluoro-RPEPGIOVXBBUMJ-UHFFFAOYSA-DTXSID40214381RefChem:81648DTXCID40136872628-249-6InChI=1/C6H4F2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9HRPEPGIOVXBBUMJ-UHFFFAOYSA-N6418-38-82,3-difluoro-phenolMFCD00010262
Show more names
3-Difluorophenol2,3-Difluorophenole2,3-Difluorophenol>2,3-Difluorophenol 98%2,3-Difluorophenol,98+%2,3-Difluorophenol ,99%2,3- twodifluoro phenol
2,3-Bis(Fluoranyl)phenolPhenol, difluoro-difluorophenoldifluoro-phenolSCHEMBL158392,3-Difluorophenol, 98%SCHEMBL330689SCHEMBL1035723
Database identifiers
- CAS
6418-38-8- PubChem CID
- 80879
- DTXSID
DTXSID40214381- EC Number
- 628-249-6
- Nikkaji
- J236.264C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- Melting point
- 39 · 39-42 °C (lit.)
- Boiling point
- 54 °C/25 · 54 °C/25 mmHg (lit.)
- Density
- 1.2483 · 1.2483 (estimate)
- Flash point
- 134 °F · 134 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- 7.71 · 7.71±0.10(Predicted)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- BRN
- 2082265 · 2082265
- InChI
- InChI=1S/C6H4F2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
- InChIKey
- RPEPGIOVXBBUMJ-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=CC(F)=C1F
- CAS DataBase Reference
- 6418 · 6418-38-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H302-H315-H319-H335
- Precautionary statements
- 210 · P210-P301+P312+P330-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xn,Xi,C
- Risk Statements
- 11 · 11-22-36/37/38-34-20/21/22
- Safety Statements
- 26 · 26-45-36/37/39-16
- RIDADR
- 1325 · UN 1325 4.1/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 4.1 · 4.1
- PackingGroup
- III
- HS Code
- 29081000 · 29081000
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (83.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (83.3%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1325 4.1/PG 2
- hs_code
- 29081000
- risk_code
- 11-22-36/37/38-34-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn,Xi,C
- hazard_note
- Irritant
- safety_code
- 26-45-36/37/39-16
- hazard_class
- 4.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H302-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P301+P312+P330-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIntermediates of Liquid Crystals
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [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]
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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [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]
石家庄德科达化工有限公司0311-67790228 15531158659 · [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]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
浙江六康生物科技有限公司13213637321
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
唐山默内德贸易有限公司0315-8309571 15633399667 · [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]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
天津津御达化工科技有限公司022-58013646 13011382049 · [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]
苏州思变化学技术有限公司0512-65617459 18915409046 · [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]
深圳康特腾科技有限公司86-0755-86635001 · [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
北京环宇世纪化学科技有限公司hysj_bj.com
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]
HBCChem, Inc.+1-510-219-6317 · [email protected]
Related reactions
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