4-Fluorobenzene-1,3-diamine

C₆H₇FN₂CAS 6264-67-1126.13 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₇FN₂
Molar mass: 126.13 g/mol
Exact mass: 126.0593 Da
Boiling point: 152–153 °C (at NaN Torr)
logP: 0.99Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6264-67-1

SMILES

Nc1ccc(F)c(N)c1

InChIKey

QNDFYLBDUWCFJO-UHFFFAOYSA-N

InChI

InChI=1S/C6H7FN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

4-Fluoro-1,3-phenylenediamine
1,3-Benzenediamine, 4-fluoro-
m-Phenylenediamine, 4-fluoro-
4-Fluoro-1,3-benzenediamine
4-Fluoro-m-phenylenediamine
2,4-Diamino-1-fluorobenzene
3-Amino-4-fluoroaniline
2,4-Diaminofluorobenzene

Work with 4-Fluorobenzene-1,3-diamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Difluoroaniline3863-11-465 % similar 2,5-Difluoroaniline367-30-660 % similar 5-Chloro-2-fluoroaniline2106-05-056 % similar 5-Bromo-2-fluorobenzenamine2924-09-656 % similar 3-Chloro-4-fluoroaniline367-21-556 % similar 4-Fluoro-3-methylaniline452-69-756 % similar 2-Fluoro-5-methylaniline452-84-656 % similar 3-Amino-4-fluorophenol62257-16-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Pyridinamine,5-fluoro-6-methyl-(9ci)110919-71-6 4-Ethyl-5-fluoropyrimidine137234-88-9 2-Fluoro-4-methylpyridin-3-amine173435-32-0 2-Fluoro-3-methyl-5-aminopyridine186593-48-6 (5-Fluoropyridin-3-yl)methanamine23586-96-1 (2-Fluorophenyl)hydrazine2368-80-1 3-Amino-6-fluoro-2-methylpyridine28489-47-6 2-Amino-5-fluoro-4-methylpyridine301222-66-2

Elsewhere

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