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METHYL5-BROMO-2-IODOBENZOATE

METHYL5-BROMO-2-IODOBENZOATE structure

CAS No:
181765-86-6
Formula:
C8H6BrIO2
Chemical Name:
METHYL5-BROMO-2-IODOBENZOATE
Synonyms:
Methyl 5-broMo-2-iodobenzoate;Benzoic acid,5-broMo-2-iodo-, Methyl ester;5-Bromo-2-iodo-benzoic acid methyl ester
Categories:
Organic Chemistry > Heterocyclic Ring

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METHYL5-BROMO-2-IODOBENZOATE Basic Attributes

Molecular Weight：

340.94

Exact Mass：

339.85959

DSSTox ID：

DTXSID50454453

HScode：

2916399090

Characteristics

PSA：

26.30000

XLogP3：

2.84030

Density：

2.059±0.06 g/cm3

Melting Point：

45-49 °C (lit.)

Boiling Point：

134°C/1mmHg(lit.)

Flash Point：

139.5ºC

Refractive Index：

1.626

Vapor Pressure：

0.001mmHg at 25°C

Safety Information

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

safety instructions：

Marks：

GHS Classification：

|Danger|H301 (97.56%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:340.94
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:339.85959
Monoisotopic Mass:339.85959
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of METHYL5-BROMO-2-IODOBENZOATE

Basic Attributes
Characteristics
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Computed Properties
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