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2-Bromo-4-iodoanisole

2-Bromo-4-iodoanisole structure

CAS No:
182056-39-9
Formula:
C7H6BrIO
Chemical Name:
2-Bromo-4-iodoanisole
Synonyms:
2-Bromo-4-iodoanisole;2-bromo-4-iodo-1-methoxybenzene;Benzene, 2-bromo-4-iodo-1-methoxy-;MFCD03425935;SCHEMBL2498828;CTK8B8258;DTXSID80391928;ZINC2580767;9539AA;ANW-59783
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Bromo-4-iodoanisole Basic Attributes

Molecular Weight：

312.93041

Exact Mass：

311.86500

DSSTox ID：

DTXSID80391928

Characteristics

PSA：

9.2

XLogP3：

3.2

Density：

2.062±0.06 g/cm3(Predicted)

Melting Point：

80-82 °C(Solv: hexane (110-54-3); toluene (108-88-3))

Boiling Point：

285.1±30.0 °C(Predicted)

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:312.93
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:311.86467
Monoisotopic Mass:311.86467
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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