Basic information
- CAS
903522-29-2- Standard SMILES
O=C(O)c1c(F)cncc1F- InChIKey
DRWDDFVJHGAJTN-UHFFFAOYSA-N- Molecular formula
- C6H3F2NO2
- Average molar mass
- 159.09 g/mol
- Monoisotopic mass
- 159.01318478
Names & identifiers
- Preferred name
- 3,5-Difluoroisonicotinic acid
- IUPAC
- 3,5-difluoropyridine-4-carboxylic acid
- English name
- 3,5-Difluoroisonicotinic acid
- Molecular formula
- C6H3F2NO2
- Molecular weight
- 159.09
Names & synonyms
3,5-difluoroisonicotinic acidRefChem:486852804-543-1903522-29-23,5-Difluoropyridine-4-carboxylic acid3,5-Difluoro-4-carboxypyridine3,5-DIFLUORO-4-PYRIDINECARBOXYLIC ACIDMFCD049728293,5-Difluoro-isonicotinic acidSCHEMBL695984DTXSID30602591CS-W018710
Show more names
uoropyridine-4-carboxyL3,5-Difluoro-4-carboxylic acid3,5-Difluoropyridine-4-carboxylic3,5-Difluoropyridine-4-carboxylicaci3,5-Difluoropyridine-4-carboxylic acid ISO 9001：2015 REACH3,5-Difluoropyridine-4-carboxylic acid, 4-Carboxy-3,5-difluoropyridine
4-Pyridinecarboxylicacid, 3,5-difluoro-3,5-difluoropyridine-4-carboxylicacid3,5-Difluoroisonicotin3,5-difluoroisonicotinicacidDRWDDFVJHGAJTN-UHFFFAOYSA-NSBB087337AKOS005063969GC-0754
Database identifiers
- CAS
903522-29-2- PubChem CID
- 20111879
- DTXSID
DTXSID30602591- EC Number
- 804-543-1
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 317 ℃ · 317℃
- Density
- 1.535 · 1.535
- Flash point
- 146 ℃ · 146℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 1.51 · 1.51±0.10(Predicted)
- form
- solid
- color
- White
- InChI
- InChI=1S/C6H3F2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)
- InChIKey
- DRWDDFVJHGAJTN-UHFFFAOYSA-N
- SMILES
- C1=NC=C(F)C(C(O)=O)=C1F
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesA di-substituted isonicotinic acid (I821760) used in the preparation of pyridyl-fused lactam derivatives.
Uses3,5-Difluoropyridine-4-carboxylic acid can be used in the preparation of pyridyl-fused lactam derivatives.
Suppliers100 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
安徽合诺生物科技有限公司18455579438
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
宁波苯康基石医药科技有限公司15990591583
上海舒盟医药科技有限公司021-54540637 18621091017 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
天津津御达化工科技有限公司022-58013646 13011382049 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [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]
广州康瑞泰药业有限公司020-82185713,82185709 13418171485 · [email protected]
盐城奥科联合医药科技有限公司0515-89701588 13770166955 · [email protected]
CEG Chemical Science & Technology Co., Ltd.Mobile:13665161512
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
苏州月朗星稀化学有限公司0512-62857507 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
上海药克生物科技有限公司19943855286 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
含山捷化生物科技有限公司0555-18055517827 18055517827 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Related reactions
7 records
Compound notes
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