CAS 13194-67-7 4-Fluoro-2-iodotoluene (HCID 83220)

Substructure search Find similar structures

Basic information

CAS: 13194-67-7
Standard SMILES: Cc1ccc(F)cc1I
InChIKey: RZGYAMQMAVTAKP-UHFFFAOYSA-N
Molecular formula: C7H6FI
Average molar mass: 236.02 g/mol
Monoisotopic mass: 235.94982641

Names & identifiers

Preferred name: 4-Fluoro-2-iodotoluene
IUPAC: 4-fluoro-2-iodo-1-methylbenzene
English name: 4-Fluoro-2-iodotoluene
Molecular formula: C7H6FI
Molecular weight: 236.03

Names & synonyms

4-Fluoro-2-iodotoluene13194-67-74-fluoro-2-iodo-1-methylbenzeneEINECS 236-153-7DTXSID40157269RefChem:523108DTXCID0079760236-153-7Benzene, 4-fluoro-2-iodo-1-methyl-2-iodo-4-fluorotoluene4-fluoro-2-iodo-1-methyl-benzeneMFCD00013709

Show more names

4-Fluoro-2-iodotoluene>4-Fluoro-2-iodo-1-toluene4-Fluoro-2-iodotoluene98%4-Fluoro-2-iodotoluene 98%1-Methyl-2-iodo-4-fluorobenzeneBENZENE,4-FLUORO-2-IODO-1-METHYL4-FLUORO-2-IODOTOLUENE ISO 9001：2015 REACH

benzene, 4-fluoro-2-iodo-1-methylSCHEMBL4411554-Fluoro-2-iodotoluene, 97%AKOS009159264CS-W010321AC-9828BP-10063F0613

Database identifiers

CAS: 13194-67-7
PubChem CID: 83220
DTXSID: DTXSID40157269
EC Number: 236-153-7
Nikkaji: J213.739I

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94.9

Physicochemical properties

Boiling point: 92 · 92-94 °C15 mm Hg(lit.)
Density: 1.752 g/mL · 1.752 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5800(lit.)
Flash point: 188 °F · 188 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Orange to Green
Sensitive: Light Sensitive
BRN: 2242594 · 2242594
InChI: InChI=1S/C7H6FI/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChIKey: RZGYAMQMAVTAKP-UHFFFAOYSA-N
SMILES: C1(C)=CC=C(F)C=C1I
CAS DataBase Reference: 13194 · 13194-67-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (86.7%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
ridadr: UN 2810 6.1/PG 3
hs_code: 29039990
risk_code: 25-52/53-36/37/38
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T,Xi
safety_code: 45-37/39-26
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P301+P310