2-Chloro-4-iodobenzoic Acid

HCID 821264

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 145343-76-6
Standard SMILES: O=C(O)c1ccc(I)cc1Cl
InChIKey: KVFAMLOGLYILKM-UHFFFAOYSA-N
Molecular formula: C7H4ClIO2
Average molar mass: 282.46 g/mol
Monoisotopic mass: 281.89445505

Names & identifiers

Preferred name: 2-Chloro-4-iodobenzoic Acid
IUPAC: 2-chloro-4-iodobenzoic acid
English name: 2-Chloro-4-iodobenzoic acid
Molecular formula: C7H4ClIO2
Molecular weight: 282.46

Names & synonyms

2-chloro-4-iodobenzoic acid145343-76-6DTXSID10356303RefChem:258768DTXCID80307362626-864-4Benzoic acid, 2-chloro-4-iodo-MFCD058635232-Chloro-4-iodo-benzoic acidSCHEMBL1820547AR-527/42979554AKOS000109280

Show more names

2-Chloro-4-iodobenzoic acid 96%2-chloro-4-iodobenzenemacetic acid

SY007807C3281CS-0139226Benzoic acid,2-chloro-4-iodo-2-CHLORO-4-IODOBENZOICACID2-Chloro-4-A808351FC55578

Database identifiers

CAS: 145343-76-6
PubChem CID: 821264
DTXSID: DTXSID10356303
EC Number: 626-864-4

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 166 · 166-170 °C
Boiling point: 337.9 · 337.9±27.0 °C(Predicted)
Density: 2.077 · 2.077±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
solubility: soluble in Methanol
form: powder to crystal
pka: 2.75 · 2.75±0.25(Predicted)
color: White to Light yellow to Light orange
Symbol(GHS): 5 · GHS05,GHS06,GHS09
Signal word: Danger
Hazard statements: 301 · H301-H315-H318-H335-H400
Precautionary statements: 261 · P261-P273-P280-P301+P310-P305+P351+P338
Hazard Codes: T,N
Risk Statements: 25 · 25-37/38-41-50/53
Safety Statements: 26 · 26-36/37-45-60-61
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (97.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 69 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.