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Benzenamine, 5-chloro-2-(4-chlorophenoxy)-, hydrochloride (1:1)

HCID 80414
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Basic information

CAS
6259-39-8
Standard SMILES
Cl.Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1
InChIKey
BYVKKIVAXSTEHI-UHFFFAOYSA-N
Molecular formula
C12H10Cl3NO
Average molar mass
290.6 g/mol
Monoisotopic mass
288.982797

Names & identifiers

Preferred name
Benzenamine, 5-chloro-2-(4-chlorophenoxy)-, hydrochloride (1:1)
IUPAC
5-chloro-2-(4-chlorophenoxy)aniline;hydrochloride

Names & synonyms

6259-39-8Benzenamine, 5-chloro-2-(4-chlorophenoxy)-, hydrochlorideEINECS 228-401-8DTXSID0064173Benzenamine, 5-chloro-2-(4-chlorophenoxy)-, hydrochloride (1:1)RefChem:117237DTXCID20434045-chloro-2-(4-chlorophenoxy)aniline hydrochloride5-Chloro-2-(4-chlorophenoxy)anilinium chloride5-chloro-2-(4-chlorophenoxy)aniline;hydrochlorideMLS000565207SMR000152375
Show more names
CHEMBL1347390SCHEMBL11515445BYVKKIVAXSTEHI-UHFFFAOYSA-NMFCD07284853AKOS025213584CS-0220431EN300-066415-chloro-2-(4-chlorophenoxy)anilinehydrochloride

Database identifiers

CAS
6259-39-8
PubChem CID
80414
DTXSID
DTXSID0064173
ChEMBL
CHEMBL1347390
EC Number
228-401-8

Properties

Computed structural properties

Topological polar surface area
35.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
219

Safety & regulation

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

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 5-chloro-2-(4-chlorophenoxy)-, hydrochloride (1:1): INACTIVE

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Compound notes

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