Benzoic acid, 4-iodo-2-methoxy-, methyl ester

HCID 22619468CAS 148490-97-5

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Basic information

Standard SMILES: COC(=O)c1ccc(I)cc1OC
InChIKey: MCNOTXROWOGSGU-UHFFFAOYSA-N
Molecular formula: C9H9IO3
Average molar mass: 292.07 g/mol
Monoisotopic mass: 291.95964

Names & identifiers

Preferred name: Benzoic acid, 4-iodo-2-methoxy-, methyl ester
IUPAC: methyl 4-iodo-2-methoxybenzoate
English name: METHYL 4-IODO-2-METHOXYBENZOATE
Molecular formula: C9H9IO3
Molecular weight: 292.07

Names & synonyms

Benzoic acid, 4-iodo-2-methoxy-, methyl esterRefChem:566020604-637-0Methyl 4-iodo-2-methoxybenzoate148490-97-5MFCD067978654-Iodo-2-methoxybenzoic acid methyl esterSCHEMBL1402749methyl-4-iodo-2-methoxybenzoateDTXSID30626999MCNOTXROWOGSGU-UHFFFAOYSA-Nmethyl 4-iodo-2-methoxy-benzoate

Show more names

Methyl 4-iodo-o-anisate, 5-Iodo-2-(methoxycarbonyl)anisole

SBB064630AKOS005147320FI70388PS-5224Methyl 4-iodo-2-Methoxybenzoate, 98+%SY239360CS-0127798F613537

Database identifiers

CAS: 148490-97-5
PubChem CID: 22619468
DTXSID: DTXSID30626999
EC Number: 604-637-0
Nikkaji: J3.265.132A

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 44 · 44-46℃
storage temp.: 2 · 2-8°C
form: liquid
color: Clear, colourless
Water Solubility: Insoluble in water.
Sensitive: Light Sensitive
CAS DataBase Reference: 148490 · 148490-97-5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi,T
Risk Statements: 25 · 25-43
Safety Statements: 36 · 36/37-45
HS Code: 2918999090 · 2918999090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.