2-Iodo-5-nitrotoluene

HCID 79225

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Basic information

CAS: 5326-38-5
Standard SMILES: Cc1cc([N+](=O)[O-])ccc1I
InChIKey: ARJHCXYRCLMLQN-UHFFFAOYSA-N
Molecular formula: C7H6INO2
Average molar mass: 263.034 g/mol
Monoisotopic mass: 262.94432643

Names & identifiers

Preferred name: 2-Iodo-5-nitrotoluene
IUPAC: 1-Iodo-2-methyl-4-nitrobenzene
English name: 2-IODO-5-NITROTOLUENE
Molecular formula: C7H6INO2
Molecular weight: 263.03

Names & synonyms

1-Iodo-2-methyl-4-nitrobenzene2-IODO-5-NITROTOLUENE2-Iodine-5-nitrotoluene2-Iodo-5-nitrotoluene 97%2-IODO-5-NITROTOLUENE 98+%Benzene, 1-iodo-2-methyl-4-nitro-N-propan-2-yl-1-phenazinecarboxamide

Database identifiers

CAS: 5326-38-5
PubChem CID: 79225
DTXSID: DTXSID60201379
EC Number: 226-204-1
Nikkaji: J298.003G

Properties

Physicochemical properties

Melting point: 103 · 103-107 °C (lit.)
Boiling point: 309.2 · 309.2±30.0 °C(Predicted)
Density: 1.883 · 1.883±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
color: Light yellow to Brown
Sensitive: Light Sensitive
BRN: 2438587 · 2438587
InChI: 1S/C7H6INO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
InChIKey: ARJHCXYRCLMLQN-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1I)[N+]([O-])=O
CAS DataBase Reference: 5326 · 5326-38-5(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-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29049090 · 29049090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29049090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Iodo-5-nitrotoluene is a chemical derivative of nitrated toluene and can be used as an organic intermediate in organic synthesis and drug development.