CAS 86398-94-9 [2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine (HCID 688223)

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Basic information

CAS: 86398-94-9
Standard SMILES: NNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIKey: FYOWOHMZNWQLFG-UHFFFAOYSA-N
Molecular formula: C7H5Cl2F3N2
Average molar mass: 245.03 g/mol
Monoisotopic mass: 243.97818818

Names & identifiers

Preferred name: [2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine
IUPAC: [2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine
English name: 2,6-Dichloro-4-(trifluoromethyl)phenylhydrazine
Molecular formula: C7H5Cl2F3N2
Molecular weight: 245.03

Names & synonyms

86398-94-9(2,6-Dichloro-4-(trifluoromethyl)phenyl)hydrazine[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazineRefChem:394673617-847-22,6-Dichloro-4-(trifluoromethyl)phenylhydrazineMFCD000850011-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine2,6-Dichloro-4-trifluoro MethylphenylhydrozineSCHEMBL241686Hydrazine, [2,6-dichloro-4-(trifluoromethyl)phenyl]-DTXSID80350838

Show more names

BUTTPARK 98\57-11TIMTEC-BB SBB0031882,6-DICHLORO-4-(TRIF3,5-Dichloro-4-Hydrazinobenzotrifluoride[2,6-dichloro-5-(trifluoromethyl)phenyl]hydrazine2,6-Dichloro-4-(trifluoromethyl)phenylhydrazine98%2,6-Dichloro-4-(trifluoromethyl)phenylhydrazine 98%

SBB003188AKOS015914076FS-4679SB77143AC-13873SY041085DB-0201592,6-dichloro4-trifluoromethylphenylhydrazine

Database identifiers

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 188

Physicochemical properties

Melting point: 58 · 58-60 °C(lit.)
Boiling point: 224 · 224.0±40.0 °C(Predicted)
Density: 1.596 · 1.596±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 3.3 · 3.30±0.33(Predicted)
BRN: 8319619 · 8319619
InChI: 1S/C7H5Cl2F3N2/c8-4-1-3(7(10,11)12)2-5(9)6(4)14-13/h1-2,14H,13H2
InChIKey: FYOWOHMZNWQLFG-UHFFFAOYSA-N
SMILES: NNc1c(Cl)cc(cc1Cl)C(F)(F)F
CAS DataBase Reference: 86398 · 86398-94-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS08,GHS06
Signal word: Warning
Hazard statements: 301 · H301-H302-H312-H315-H319-H332-H335-H351

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

Safety data

PPE: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
hs_code: 29280000
risk_code: 20/21/22-36/37/38-40
Signal word: Warning
Symbol(GHS): GHS07,GHS08,GHS06
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-27-36/37/39-45
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H301-H302-H312-H315-H319-H332-H335-H351
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P305+P351+P338-P280a-P301+P310a-P405-P501a

Chemistry & industry

Applications · 2 items

Uses[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine may be used for the synthesis of pyrazolo[4,3-d]isoxazole derivatives. It may also be used in the synthesis of following N-(2,6-dichloro-4-trifluoromethyl)phenyl-N′-(1-phenylethylidene) hydrazines:N-(2,6-dichloro-4-trifluoromethyl)phenyl-N′-(1-phenylethylidene)hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(4-chlorophenyl)ethylidene]hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(3-chlorophenyl)ethylidene]hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(4-bromophenyl)-ethylidene]hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(3-bromophenyl)ethylidene]hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(4-methoxyphenyl)ethylidene]-hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(4-trifluoromethylphenyl)-ethylidene]hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(4-nitrophenyl)ethylidene]hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(6-methoxy-naphthalen-2-yl)-ethylidene]hydrazine

General Description[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine is a hydrazine derivative. It reacts with excess of ethyl acetoacetate to afford 1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one.