3,5-Diaminochlorobenzene

C₆H₇ClN₂CAS 33786-89-9142.59 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₇ClN₂
Molar mass: 142.59 g/mol
Exact mass: 142.0298 Da
logP: 1.50Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin11.4% of notifiers
H317 May cause an allergic skin reaction90.9% of notifiers
H332 Harmful if inhaled11.4% of notifiers
H341 Suspected of causing genetic defects11.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P333+P317, P362+P364, P405, P501

Identifiers

CAS number

33786-89-9

SMILES

Nc1cc(N)cc(Cl)c1

InChIKey

VZNUCJOYPXKLTA-UHFFFAOYSA-N

InChI

InChI=1S/C6H7ClN2/c7-4-1-5(8)3-6(9)2-4/h1-3H,8-9H2

Weigh it out

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

Names and synonyms

8 names

1,3-Benzenediamine, 5-chloro-
m-Phenylenediamine, 5-chloro-
5-Chloro-1,3-benzenediamine
5-Chloro-m-phenylenediamine
5-Chloro-1,3-phenylenediamine
5-Amino-3-chloroaniline
3-Amino-5-chloroaniline
5-Chloro-1,3-diaminobenzene

Work with 3,5-Diaminochlorobenzene

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

3,5-Dichloroaniline626-43-788 % similar 3-Chloro-5-methylbenzenamine29027-20-164 % similar 3-Chloro-5-fluorobenzenamine4863-91-664 % similar 3-Bromo-5-chlorophenylamine96558-78-064 % similar 3-Chloroaniline108-42-957 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-856 % similar 5-Chloro-3-pyridinamine22353-34-052 % similar 4-Chloroaniline106-47-850 % similar

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

Same formula

(4-Chlorophenyl)hydrazine1073-69-4 2-Chloro-5-ethylpyrimidine111196-81-7 3-Amino-2-chloro-4-methylpyridine133627-45-9 (2-Chloropyridin-4-yl)methanamine144900-57-2 3-Amino-6-chloro-2-picoline164666-68-6 (4-Chloropyridin-2-yl)methanamine180748-30-5 (2-Chloropyridin-3-yl)methanamine205744-14-5 2-Amino-5-chloro-3-methylpyridine20712-16-7

Elsewhere

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