CAS 255724-71-1 5-Fluoro-2-iodoaniline (HCID 2774512)

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Basic information

CAS: 255724-71-1
Standard SMILES: Nc1cc(F)ccc1I
InChIKey: UCPDOOZBROQHME-UHFFFAOYSA-N
Molecular formula: C6H5FIN
Average molar mass: 237.01 g/mol
Monoisotopic mass: 236.94507538

Names & identifiers

Preferred name: 5-Fluoro-2-iodoaniline
IUPAC: 5-fluoro-2-iodoaniline
English name: 5-FLUORO-2-IODOANILINE
Molecular formula: C6H5FIN
Molecular weight: 237.01

Names & synonyms

5-Fluoro-2-iodoaniline255724-71-1DTXSID40379065RefChem:303148DTXCID603300925-fluoro-2-iodo-aniline5-fluoro-2-iodobenzenamineMFCD020939535-Fluoro-2-iodo-phenylamine5-Fluoro-2-iodoaniline, 97%AKOS015888268AS-18850

Show more names

2-iodo-5-flouro aniline2-Iodine-5-fluoroanilineBenzenaMine,5-fluoro-2-iodo-

5-fluoro-2-iodophenylamineEN300-154031Benzenamine, 5-fluoro-2-iodo-3-fluoro-6-iodoanilineFT-0620394SCHEMBL550112SBB098704CS-W002882

Database identifiers

CAS: 255724-71-1
PubChem CID: 2774512
DTXSID: DTXSID40379065
EC Number: 677-878-2
Nikkaji: J3.544.156E

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

Physicochemical properties

Melting point: 41 · 41-45 °C
Boiling point: 258.2 · 258.2±25.0 °C(Predicted)
Density: 2.008 · 2.008±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 1.52 · 1.52±0.10(Predicted)
color: Brown
Sensitive: Light Sensitive
BRN: 8478850 · 8478850
InChI: 1S/C6H5FIN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKey: UCPDOOZBROQHME-UHFFFAOYSA-N
SMILES: Nc1cc(F)ccc1I
CAS DataBase Reference: 255724 · 255724-71-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (88.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (88.6%)

Safety data

wgk: 3
ridadr: UN2811
hs_code: 2921420090
risk_code: 36/37/38-25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
hazard_note: Toxic
safety_code: 26-36/37/39-45
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H301
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P301+P310