4,6-Dichlorobenzene-1,3-diamine

HCID 3372869

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Basic information

CAS: 20248-64-0
Standard SMILES: Nc1cc(N)c(Cl)cc1Cl
InChIKey: SSXPQLXWKPOYLJ-UHFFFAOYSA-N
Molecular formula: C6H6Cl2N2
Average molar mass: 177.03 g/mol
Monoisotopic mass: 175.99080355

Names & identifiers

Preferred name: 4,6-Dichlorobenzene-1,3-diamine
IUPAC: 4,6-dichlorobenzene-1,3-diamine
English name: 4,6-Dichloro-1,3-phenylenediamine
Molecular formula: C6H6Cl2N2
Molecular weight: 177.03

Names & synonyms

4,6-dichlorobenzene-1,3-diamine20248-64-0DTXSID30391897RefChem:285831DTXCID803427584,6-Dichloro-1,3-phenylenediamine1,5-Diamino-2,4-dichlorobenzeneMFCD004563081,3-Benzenediamine, 4,6-dichloro-SCHEMBL398461SSXPQLXWKPOYLJ-UHFFFAOYSA-N1,3-Diamino-4,6-dichlorobenzene

Show more names

4,6-Dichloro-1,3-benzenediamine1,3-Benzenediamine,4,6-dichloro-(5-amino-2,4-dichloro-phenyl)amine

1,3-Dichloro-4,6-diaminobenzeneALBB-0287744,6-Dichloro-benzene-1,3-diamineSBB019029STK360248AKOS003245259AS-61475ST4146337

Database identifiers

CAS: 20248-64-0
PubChem CID: 3372869
DTXSID: DTXSID30391897
EC Number: 100-428-9
Nikkaji: J82.943I

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 138 · 138-139 °C
Boiling point: 313.2 · 313.2±37.0 °C(Predicted)
Density: 1.501 · 1.501±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 2.3 · 2.30±0.10(Predicted)
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.