2-Iodo-9H-fluorene

HCID 224094

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Basic information

CAS: 2523-42-4
Standard SMILES: Ic1ccc2c(c1)Cc1ccccc1-2
InChIKey: VNYQUOAQPXGXQO-UHFFFAOYSA-N
Molecular formula: C13H9I
Average molar mass: 292.11 g/mol
Monoisotopic mass: 291.97489829

Names & identifiers

Preferred name: 2-Iodo-9H-fluorene
IUPAC: 2-iodo-9H-fluorene
English name: 2-Iodo-9H-fluorene
Molecular formula: C13H9I
Molecular weight: 292.11

Names & synonyms

2-Iodo-9H-fluorene2-Iodofluorene2523-42-4DTXSID40279334RefChem:473724DTXCID80230489627-435-4MFCD00019049C13H9I2-iodo-fluorene2-Iodofluorene; NSC 123549H-Fluorene, 2-iodo-

Show more names

IodoluoreneIodofluorene2-IODO-9H-FL2-Iodofluorene>3-Iodoethylbenzene2-IODOFLUORENE 97%2-iodanyl-9H-fluorene

NSC123542-iodo-9H- fluorene2-Iodofluorene, 98%Maybridge1_002237SCHEMBL481172orb3022890SCHEMBL18243664SCHEMBL30561571

Database identifiers

CAS: 2523-42-4
PubChem CID: 224094
DTXSID: DTXSID40279334
EC Number: 627-435-4
Nikkaji: J308.128A

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 213

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 126 · 126-129 °C
Boiling point: 375.6 · 375.6±21.0 °C(Predicted)
Density: 1.714 · 1.714±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
color: White to Orange to Green
InChI: InChI=1S/C13H9I/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKey: VNYQUOAQPXGXQO-UHFFFAOYSA-N
SMILES: C1C2=C(C=CC=C2)C2=C1C=C(I)C=C2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 319 · H319-H411-H320
Precautionary statements: 264 · P264-P305+P351+P338+P337+P313-P391-P501-P273-P305+P351+P338
PPE: Eyeshields, Gloves
Hazard Codes: N,Xi
Risk Statements: 51 · 51/53
Safety Statements: 61 · 61
RIDADR: 3077 · UN 3077 9/PG 3
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 9 · 9
PackingGroup: III
HS Code: 29039990 · 29039990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Aquatic Chronic 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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 CategoriesEye Irrit. 2 (97.5%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
ridadr: UN 3077 9/PG 3
hs_code: 29039990
risk_code: 51/53
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: N,Xi
hazard_note: Irritant
safety_code: 61
hazard_class: 9
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H319-H411-H320
Hazard Classifications: Aquatic Chronic 2
Precautionary statements: P264-P305+P351+P338+P337+P313-P391-P501-P273-P305+P351+P338