4-Pyridinamine, 3,5-dichloro-2,6-difluoro-

HCID 76089

Notes Reactions

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Basic information

CAS: 2840-00-8
Standard SMILES: Nc1c(Cl)c(F)nc(F)c1Cl
InChIKey: BEGINUFBBRTGBH-UHFFFAOYSA-N
Molecular formula: C5H2Cl2F2N2
Average molar mass: 198.98 g/mol
Monoisotopic mass: 197.95630986

Overview

See also: 3,5-Dichloro-2,6-difluoropyrdine-4-amine (annotation moved to).

Names & identifiers

Preferred name: 4-Pyridinamine, 3,5-dichloro-2,6-difluoro-
IUPAC: 3,5-dichloro-2,6-difluoropyridin-4-amine
English name: 4-Amino-3,5-dichloro-2,6-difluoropyridine
Molecular formula: C5H2Cl2F2N2
Molecular weight: 198.99

Names & synonyms

3,5-Dichloro-2,6-difluoropyridin-4-amine4-Pyridinamine, 3,5-dichloro-2,6-difluoro-EINECS 220-630-1DTXSID7062665RefChem:526610DTXCID0037815220-630-12840-00-84-Amino-3,5-dichloro-2,6-difluoropyridineMFCD00011574C5H2Cl2F2N23,5-Dichloro-2,6-difluoro-pyridin-4-amine

Show more names

3,5-Dichloro-4-amino-2,6-difluoropyridineTIMTEC-BB SBB0003764-Amino-3,5-dichloro-23,5-Dichlor-2,6-difluorpyridin-4-amin3,5-DICHLORO-2,6-DILUOROPYRIDIN-4-AMINE3,5-dichloro-2,6-difluoro-4-pyridinamine4-Amino-3,5-dichloro-2,6-difluoropyridin

4-amino-3,5-dichlorodifluoropyridineEN300-371741-Amino-2,6-dichloro-3,5-difluorobenzene3,5-dichloro-2,6-difluoro-4-pyridylamine3,5-Dichloro-2,6-difluoro-4-pyridinamine; (3,5-Dichloro-2,6-difluoropyridin-4-yl)amine; 2,6-Difluoro-3,5-dichloro-4-aminopyridine; 3,5-Dichloro-2,6-difluoropyrid-4-ylamine; 4-Amino-3,5-dichloro-2,6-difluoropyridine;SCHEMBL3569028SCHEMBL8114120BDBM626160

Database identifiers

CAS: 2840-00-8
PubChem CID: 76089
DTXSID: DTXSID7062665
EC Number: 220-630-1
Nikkaji: J306.768H

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 134

Physicochemical properties

Melting point: 112 · 112-114 °C(lit.)
Boiling point: 112 · 112-113 °C
Density: 1.697 · 1.697±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: -3.04 · -3.04±0.10(Predicted)
color: White to Off-White
InChI: InChI=1S/C5H2Cl2F2N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)
InChIKey: BEGINUFBBRTGBH-UHFFFAOYSA-N
SMILES: C1(F)=NC(F)=C(Cl)C(N)=C1Cl
CAS DataBase Reference: 2840 · 2840-00-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 4 · 4-Pyridinamine, 3,5-dichloro-2,6-difluoro- (2840-00-8)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H312-H411
Precautionary statements: 264 · P264-P270-P273-P280-P301+P310-P302+P352-P312-P322-P330-P363-P391-P501
Hazard Codes: Xn,N,Xi
Risk Statements: 21 · 21/22-51/53-36/37/38
Safety Statements: 36 · 36/37-61-36-26
RIDADR: 3077 · UN 3077 9/PG 3
WGK Germany: 2 · 2
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312 (43.3%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P264, P270, P273, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 2
tsca: TSCA listed
ridadr: UN 3077 9/PG 3
hs_code: 2933399990
risk_code: 21/22-51/53-36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xn,N,Xi
safety_code: 36/37-61-36-26
hazard_class: IRRITANT
Hazard statements: H302-H312-H411
Precautionary statements: P264-P270-P273-P280-P301+P310-P302+P352-P312-P322-P330-P363-P391-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing Information4-Pyridinamine, 3,5-dichloro-2,6-difluoro-: INACTIVE

Applications

Uses4-Amino-3,5-dichlorodifluoropyridine, is an intermediate in the synthesis of many chemical compounds, such as Fluroxypyr Ethyl Ester, and Fluroxypyr (F598780).