4-Chloro-5-fluoro-1,2-phenylenediamine

HCID 735773

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Basic information

CAS: 132942-81-5
Standard SMILES: Nc1cc(F)c(Cl)cc1N
InChIKey: BSMPRJISGCTCDC-UHFFFAOYSA-N
Molecular formula: C6H6ClFN2
Average molar mass: 160.58 g/mol
Monoisotopic mass: 160.02035409

Overview

structure in first source

Names & identifiers

Preferred name: 4-Chloro-5-fluoro-1,2-phenylenediamine
IUPAC: 4-chloro-5-fluorobenzene-1,2-diamine
English name: 4-Chloro-5-fluoro-o-phenylenediamine
Molecular formula: C6H6ClFN2
Molecular weight: 160.58

Names & synonyms

4-Chloro-5-fluoro-1,2-phenylenediamineRefChem:5214524-chloro-5-fluorobenzene-1,2-diamine139512-70-24-chloro-5-fluoro-O-phenylenediamine1,2-Diamino-4-chloro-5-fluorobenzene1,2-Benzenediamine, 4-chloro-5-fluoro-4-Chloro-1,2-diamino-5-fluorobenzeneMFCD000424854-Chloro-5-Fluoro-1,2-Benzenediamine5-chloro-4-fluorobenzene-1,2-diamineSCHEMBL404239

Show more names

BUTTPARK 44\03-90TIMTEC-BB SBB0039594-Chloro-5-Fluoro-o-Phenylendiamine4-Chloro-5-fluoro-1,2-diaminobenzene1-CHLORO-4,5-DIAMINO-2-FLUOROBENZENE

DTXSID70927876SBB0039594-Chloro-5-fluorobenzene-12-diamine4-chloro-5fluoro-1,2-diaminobenzeneAKOS006227965FC64359PS-87674-chloro-5-fluoro-benzene-1,2-diamine

Database identifiers

CAS: 132942-81-5、139512-70-2
PubChem CID: 735773
DTXSID: DTXSID70927876
EC Number: 679-081-5
Nikkaji: J1.524.448H

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Physicochemical properties

Melting point: 110 °C · 110°C
Density: 1.3011 · 1.3011 (estimate)
storage temp.: Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.