CAS 41252-96-4 2-Chloro-1-iodo-4-nitrobenzene (HCID 96640)

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Basic information

CAS: 41252-96-4
Standard SMILES: O=[N+]([O-])c1ccc(I)c(Cl)c1
InChIKey: FQXFHRSYMORXKN-UHFFFAOYSA-N
Molecular formula: C6H3ClINO2
Average molar mass: 283.45 g/mol
Monoisotopic mass: 282.88970402

Names & identifiers

Preferred name: 2-Chloro-1-iodo-4-nitrobenzene
IUPAC: 2-chloro-1-iodo-4-nitrobenzene
English name: 3-Chloro-4-iodonitrobenzene
Molecular formula: C6H3ClINO2
Molecular weight: 283.45

Names & synonyms

2-Chloro-1-iodo-4-nitrobenzene41252-96-4EINECS 255-278-8DTXSID40194174NSC 83313RefChem:86126DTXCID50116665255-278-83-Chloro-4-iodonitrobenzeneMFCD000245893-Chloro-4-iodo-nitrobenzene3-chloro-4-iodo-nitro-benzene

Show more names

2-chloro-1-iodo-3-nitrobenzeneBUTTPARK 29\07-572-Chloro-1-iodonitrobenzene2-Chloro-4-nitro-1-iodobenzene1-Iodo-2-chloro-4-nitrobenzeneBenzene, 2-chloro-1-iodo-4-nitro-

NSC833131-CHLORO-2-IODO-5-NITROBENZENENCIOpen2_0047913-chloro-4-iodonitro benzeneSCHEMBL2954715SCHEMBL313900712-chloro-1-iodo-4-nitro-benzeneNSC-83313

Database identifiers

CAS: 41252-96-4
PubChem CID: 96640
DTXSID: DTXSID40194174
EC Number: 255-278-8
Nikkaji: J320.034E

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 161

Physicochemical properties

Melting point: 94 °C · 94 °C
Boiling point: 312.9 · 312.9±27.0 °C(Predicted)
Density: 2.094 · 2.094±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Appearance: Light yellow to orange Solid
Water Solubility: Slightly soluble in water.
Sensitive: Light Sensitive
BRN: 2502411 · 2502411
CAS DataBase Reference: 41252 · 41252-96-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.