2-Iodo-5-methylthiophene

HCID 140096CAS 16494-36-3

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(I)s1
InChIKey: NAZNQEXKAPLVKC-UHFFFAOYSA-N
Molecular formula: C5H5IS
Average molar mass: 224.06 g/mol
Monoisotopic mass: 223.91566916

Names & identifiers

Preferred name: 2-Iodo-5-methylthiophene
IUPAC: 2-iodo-5-methylthiophene
English name: 2-Iodo-5-methylthiophene
Molecular formula: C5H5IS
Molecular weight: 224.06

Names & synonyms

2-Iodo-5-methylthiophene16494-36-3DTXSID60167825RefChem:87664DTXCID2090316670-341-3NAZNQEXKAPLVKC-UHFFFAOYSA-NThiophene, 2-iodo-5-methyl-MFCD00022492C5H5IS2-iodo-5-methyl-thiopheneSCHEMBL80621

Show more names

2-IODO-5-METHYLTHIOP2-Methyl-5-iodothiophene2-Iodo-5-methylthiophene 97%2-Iodo-5-methylthiophene 98%min2-IODO-5-METHYLTHIOPHENE ISO 9001：2015 REACH

BIDD:GT04022-Iodo-5-methylthiophene, 97%CS-W014227DS-15211SY016776EN300-646056A3661FT-0637370

Database identifiers

CAS: 16494-36-3
PubChem CID: 140096
DTXSID: DTXSID60167825
EC Number: 670-341-3
Nikkaji: J147.944J

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 65.1

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Boiling point: 81 · 81-83 °C/10 mmHg (lit.)
Density: 1.852 g/mL · 1.852 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.626(lit.)
Flash point: 193 °C · 193°C
storage temp.: 2 · 2-8°C
form: Liquid
color: Yellow to dark red-orange
InChI: 1S/C5H5IS/c1-4-2-3-5(6)7-4/h2-3H,1H3
InChIKey: NAZNQEXKAPLVKC-UHFFFAOYSA-N
SMILES: Cc1ccc(I)s1
CAS DataBase Reference: 16494 · 16494-36-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Risk Statements: 22 · 22
Safety Statements: 36 · 36/37/38
RIDADR: 1993 · NA 1993 / PGIII
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29349990 · 29349990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

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

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (50%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 29349990
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 36/37/38
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c

Chemistry & industry

Applications

Uses2-Iodo-5-methylthiophene may be used for the preparation of:methylbis[2-(5-methyl)thienyl]boranedimethyl-terthienyl5,5′-dimethy-2,2′-bithienyl

General Description2-Iodo-5-methylthiophene is a halogenated thiophene.