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(3-Fluorophenyl)hydrazine

HCID 581026
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
658-27-5
Standard SMILES
NNc1cccc(F)c1
InChIKey
HFSXFDKOXKNGIA-UHFFFAOYSA-N
Molecular formula
C6H7FN2
Average molar mass
126.13 g/mol
Monoisotopic mass
126.05932644

Names & identifiers

Preferred name
(3-Fluorophenyl)hydrazine
IUPAC
(3-fluorophenyl)hydrazine
English name
(3-FLUOROPHENYL)HYDRAZINE
Molecular formula
C6H7FN2
Molecular weight
126.13

Names & synonyms

(3-fluorophenyl)hydrazine658-27-5DTXSID40342350RefChem:1050100DTXCID002934303-FluorophenylhydrazineHydrazine, (3-fluorophenyl)-MFCD00041261(3-Fluoro-phenyl)-hydrazine1-(3-Fluorophenyl)hydrazine3-FLUORO-PHENYL-HYDRAZINEm-Fluorophenylhydrazine
Show more names
AKOS BBS-00006970
3-fluoro-phenylhydrazine3-fluorophenyl hydrazine(m-Fluorophenyl)hydrazine3-Fluorophenylhydrazine TECHHydrazine, (m-fluorophenyl)-1-(3-fluorophenyl) hydrazineSCHEMBL11437571-(3-Fluorophenyl)hydrazine #

Database identifiers

CAS
658-27-5
PubChem CID
581026
DTXSID
DTXSID40342350
Nikkaji
J84A

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
38.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
Formal charge
0
Complexity
87.1

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
28 °C · 28 °C(Solv: ligroine (8032-32-4))
Boiling point
88 °C · 88 °C(Press: 2 Torr)
Density
1.257 · 1.257±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka
5.06 · 5.06±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H320
Precautionary statements
260 · P260-P280-P231+P232-P235+P410-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.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H320
Precautionary statements
P260-P280-P231+P232-P235+P410-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

3-FluoroanilineSodium sulfiteHydrochloric acidSodium nitrite

Downstream products

1-(3-Fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carbonitrile

Suppliers11 total

Syntechem Co.,Ltd[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
南京自在化工有限公司18061688856 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]

Related reactions

21 records
New reaction record
HRID 175441 reaction equation
HRID 175441As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 937311 reaction equation
HRID 937311As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 942196 reaction equation
HRID 942196As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1368770 reaction equation
HRID 1368770As productuspto-grants-2003_06
HRID 1924558 reaction equation
HRID 1924558As reactantuspto-grants-2012_05
HRID 1924563 reaction equation
HRID 1924563As reactantuspto-grants-2012_05
HRID 1924575 reaction equation
HRID 1924575As reactantuspto-grants-2012_05
HRID 1924577 reaction equation
HRID 1924577As reactantuspto-grants-2012_05
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Compound notes

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