Basic information
- CAS
82878-62-4- Standard SMILES
FC(F)c1ccncc1- InChIKey
XPNKTOPRNGWNCL-UHFFFAOYSA-N- Molecular formula
- C6H5F2N
- Average molar mass
- 129.11 g/mol
- Monoisotopic mass
- 129.0390056
Names & identifiers
- Preferred name
- 4-(Difluoromethyl)pyridine
- IUPAC
- 4-(difluoromethyl)pyridine
- English name
- Pyridine, 4-(difluoromethyl)- (9CI)
- Molecular formula
- C6H5F2N
- Molecular weight
- 129.11
Names & synonyms
4-(difluoromethyl)pyridine82878-62-4pyridine, 4-(difluoromethyl)-DTXSID30348740RefChem:97431DTXCID60299812663-612-2InChI=1/C6H5F2N/c7-6(8)5-1-3-9-4-2-5/h1-4,64-difluoromethylpyridineMFCD11226631SCHEMBL596319SCHEMBL2565102
Show more names
alpha,alpha-Difluoro-4-picolinePyridine, 4-(difluoromethyl)- (9CI)
SCHEMBL6632461SCHEMBL6632463CHEMBL51927984-(Difluoromethyl)pyridine, 97%AKOS005259157MS-20507DB-278321EN300-367482
Database identifiers
- CAS
82878-62-4- PubChem CID
- 640476
- DTXSID
DTXSID30348740- ChEMBL
CHEMBL5192798- EC Number
- 663-612-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 79.1
Physicochemical properties
- Boiling point
- 165.6 · 165.6±30.0 °C(Predicted)
- Density
- 1.207 g/mL · 1.207 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.463
- Flash point
- 51 °C · 51°C
- pka
- 3.6 · 3.60±0.26(Predicted)
- form
- liquid
- InChI
- 1S/C6H5F2N/c7-6(8)5-1-3-9-4-2-5/h1-4,6H
- InChIKey
- XPNKTOPRNGWNCL-UHFFFAOYSA-N
- SMILES
- FC(F)c1ccncc1
- CAS DataBase Reference
- 82878 · 82878-62-4
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1993C 3 / PGIII
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers10 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
安庆济达生物科技有限公司0556-5881618 18956990316 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
1 records
Compound notes
Loading…