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(3,4-Difluorophenyl)hydrazine

HCID 2774209
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Basic information

CAS
161886-22-2
Standard SMILES
NNc1ccc(F)c(F)c1
InChIKey
KBSCNXDDCDSLLP-UHFFFAOYSA-N
Molecular formula
C6H6F2N2
Average molar mass
144.12 g/mol
Monoisotopic mass
144.04990452

Names & identifiers

Preferred name
(3,4-Difluorophenyl)hydrazine
IUPAC
(3,4-difluorophenyl)hydrazine
English name
3,4-DIFLUOROPHENYLHYDRAZINE
Molecular formula
C6H6F2N2
Molecular weight
144.12

Names & synonyms

(3,4-difluorophenyl)hydrazine161886-22-2DTXSID90378942RefChem:1050062DTXCID403299693,4-Difluorophenylhydrazine(3,4-Difluoro-phenyl)-hydrazineHydrazine, (3,4-difluorophenyl)-MFCD037884773,4-difluoro-phenylhydrazine3,4-Difluorophenyl hydrazineSCHEMBL1143594
Show more names
CHEMBRDG-BB 4006274TIMTEC-BB SBB010210(3,4-Difluorophenyl)3,4-DIFLUOROPHENYLHYDRAZINE,98%(3,4-difluorophenyl)hydrazine 1HClHydrazine, (3,4-difluorophenyl)- (9CI)(3,4-difluorophenyl)hydrazine(SALTDATA: HCl)
(3,4-Difluorophenyl)-HydrazineKBSCNXDDCDSLLP-UHFFFAOYSA-NSBB010210AKOS000162773SB340531,2-DIFLUORO-4-HYDRAZINOBENZENEDB-043504CS-0268928

Database identifiers

CAS
161886-22-2
PubChem CID
2774209
DTXSID
DTXSID90378942
Nikkaji
J2.342.245J

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
38.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
110

Physicochemical properties

Boiling point
210.7 · 210.7±30.0 °C(Predicted)
Density
1.379 · 1.379±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
5.1 · 5.10±0.24(Predicted)
CAS DataBase Reference
161886 · 161886-22-2(CAS DataBase Reference)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H335-H302+H312+H332-H315
Precautionary statements
280 · P280-P301+P312-P305+P351+P338
Hazard Codes
Xi
Hazard Note
Irritant
HS Code
2928009090 · 2928009090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2928009090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H319-H335-H302+H312+H332-H315
Precautionary statements
P280-P301+P312-P305+P351+P338

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Related reactions

6 records
New reaction record
HRID 381989 reaction equation
HRID 381989As productuspto-grants-2001_10
HRID 891409 reaction equation
HRID 891409As productuspto-grants-2006_02
HRID 1241851 reaction equation
HRID 1241851As productuspto-grants-2006_10
HRID 1539788 reaction equation
HRID 1539788As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1695546 reaction equation
HRID 1695546As reactantuspto-grants-2012_04
HRID 1924581 reaction equation
HRID 1924581As reactantuspto-grants-2012_05

Compound notes

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