CAS 29632-74-4 2-Fluoro-4-iodoaniline (HCID 185694)

Names & identifiers

Preferred name: 2-Fluoro-4-iodoaniline
IUPAC: 2-fluoro-4-iodoaniline
English name: 2-Fluoro-4-iodoaniline
Molecular formula: C6H5FIN
Molecular weight: 237.01

Names & synonyms

2-Fluoro-4-iodoaniline29632-74-4Benzenamine, 2-fluoro-4-iodo-NSC-146507UT398XXP8YDTXSID50952101RefChem:472360DTXCID801380201608-384-72-Fluoro-4-iodo-phenylamineMFCD000117382-fluoro-4-iodobenzenamine

Show more names

uoro-4-iodoaniL2-Fluor-4-Iodanilin2-fluo-4-iodoaniline2-Fluoro-4-iodoanili2-fluro-4-iodoaniline2-Fluoro-4-idioaniline4-iodo-o-fluoroaniline2-FLORO 4-IODO ANILINE

4-iodo-2-fluoroaniline2-fluoro-4-iodophenylamineTrametinib impurity 92-fluoro-4-iodaniline4-iodo-2-fluoro aniline2-fluoro-4-iodo-benzenamineCS-W002069F0417

Database identifiers

CAS: 29632-74-4
PubChem CID: 185694
DTXSID: DTXSID50952101
UNII: UT398XXP8Y
EC Number: 608-384-7
Nikkaji: J796.424B

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: 55 · 55-57 °C (lit.)
Boiling point: 248.6 · 248.6±25.0 °C(Predicted)
Density: 2.008 · 2.008±0.06 g/cm3(Predicted)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka: 2.41 · 2.41±0.10(Predicted)
form: Powder
color: Off-white to brown
Water Solubility: insoluble
Sensitive: Light Sensitive
BRN: 2081100 · 2081100
InChIKey: CUMTUBVTKOYYOU-UHFFFAOYSA-N
LogP: 2.68 · 2.680 (est)
CAS DataBase Reference: 29632 · 29632-74-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H301-H335
Precautionary statements: 280 a-P301+P310a-P305+P351+P338-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501 · P280a-P301+P310a-P305+P351+P338-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Hazard Codes: Xi,T,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36-37/39-26/37/39
RIDADR: 3 · PG3
WGK Germany: 3 · 3
Hazard Note: Toxic
HazardClass: IRRITANT-HARMFUL, LIGHT SENSITIVE
HS Code: 29214200 · 29214200

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (12.5%): 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)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (12.5%)

Safety data

wgk: 3
ridadr: PG3
hs_code: 29214200
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS06,GHS07
hazard_code: Xi,T,Xn
hazard_note: Toxic
safety_code: 26-36-37/39-26/37/39
hazard_class: IRRITANT-HARMFUL, LIGHT SENSITIVE
Hazard statements: H302+H312+H332-H315-H319-H301-H335
Precautionary statements: P280a-P301+P310a-P305+P351+P338-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501

Chemistry & industry

Applications · 2 items

Uses2-Fluoro-4-iodoaniline is widely used in the pharmaceutical, chemical and food industries as a fundamental building block to create a variety of important compounds.

General DescriptionThe profiling of iodine-containing metabolites produced by the earthworm Eisenia veneta by exposing it to 2-fluoro-4-iodoaniline was carried out using high-performance liquid chromatography/inductively coupled plasma mass spectrometry (HPLC/ICPMS).