3-Trifluoromethylpyridine

HCID 77417CAS 3796-23-4

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Basic information

Standard SMILES: FC(F)(F)c1cccnc1
InChIKey: JTZSFNHHVULOGJ-UHFFFAOYSA-N
Molecular formula: C6H4F3N
Average molar mass: 147.099 g/mol
Monoisotopic mass: 147.02958379

Names & identifiers

Preferred name: 3-Trifluoromethylpyridine
IUPAC: 3-(Trifluoromethyl)pyridine
English name: 3-Trifluoromethylpyridine
Molecular formula: C6H4F3N
Molecular weight: 147.1

Names & synonyms

3-(TRIFLUOROMETHYL)PYRIDINE3-TP3-TFAKOS BBS-00001545à,à,à-trifluoro-3-picoline3- trifloro methyl pyridinePyridine, 3-(trifluoromethyl)-3-(Trifluoromethyl)pyridine97%3-(Trifluoromethyl)pyridine 97%alpha,alpha,alpha-Trifluoro-3-picoline

Database identifiers

CAS: 3796-23-4
PubChem CID: 77417
DTXSID: DTXSID10191397
UNII: 625H9FC8CE
EC Number: 223-268-2
Nikkaji: J62.504C

Properties

Physicochemical properties

Boiling point: 113 · 113-115 °C (lit.)
Density: 1.276 g/mL · 1.276 g/mL at 25 °C
refractive index: 20 · n20/D 1.418
Flash point: 74 °F · 74 °F
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
pka: 2.8 · 2.80±0.10(Predicted)
color: Colorless to Light yellow
BRN: 1563102 · 1563102
InChI: InChI=1S/C6H4F3N/c7-6(8,9)5-2-1-3-10-4-5/h1-4H
InChIKey: JTZSFNHHVULOGJ-UHFFFAOYSA-N
SMILES: C1=NC=CC=C1C(F)(F)F
CAS DataBase Reference: 3796 · 3796-23-4(CAS DataBase Reference)
FDA UNII: 625 H9FC8CE · 625H9FC8CE
NIST Chemistry Reference: 3 · 3-(CF3)-pyridine(3796-23-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS06
Signal word: Danger
Hazard statements: 226 · H226-H300-H315-H319-H335
Precautionary statements: 210 · P210-P233-P240-P301+P310-P303+P361+P353-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T,Xi,F
Risk Statements: 10 · 10-25-36/37/38-11
Safety Statements: 26 · 26-45-37-36
RIDADR: 1992 · UN 1992 3/PG 3
WGK Germany: 2 · 2
Hazard Note: Irritant
HazardClass: 3 · 3
PackingGroup: II
HS Code: 2933399990 · 2933399990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 OralEye · Acute Tox. 2 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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
ridadr: UN 1992 3/PG 3
hs_code: 2933399990
risk_code: 10-25-36/37/38-11
Signal word: Danger
Symbol(GHS): GHS02,GHS06
hazard_code: T,Xi,F
hazard_note: Irritant
safety_code: 26-45-37-36
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H226-H300-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. 2 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P233-P240-P301+P310-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications

Uses3-(Trifluoromethyl)pyridine is a reagent used to improve amyloid detection in the brain during MRI.

Upstream & downstream products

Upstream raw materials

Downstream products

5-isothiocyanato-3-(trifluoromethyl)picolinonitrile 4-(Trifluoromethyl)pyridine 3-(Trifluoromethyl)pyridine-2-carboxylic acid

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]

上海策嵘生物科技有限公司[email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

1 records

New reaction record

HRID 1154708As reactantuspto-grants-1984_12

Linked notes

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