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2-Iodo-5-(trifluoromethyl)benzoicacid

2-Iodo-5-(trifluoromethyl)benzoicacid structure

CAS No:
702641-04-1
Formula:
C8H4F3IO2
Chemical Name:
2-Iodo-5-(trifluoromethyl)benzoicacid
Synonyms:
2-Iodo-5-(trifluoromethyl)benzoic acid;2-Iodo-5-trifluorometylbenzoic acid;3-Carboxy-4-iodobenzotrifluoride;5-(Trifluoromethyl)-2-iodobenzoic acid;2-Iodo-5-(trifluoromethyl)benzoic acid 97%;3-Carboxy-4-iodobenzotrifluoride, 6-Iodo-alpha,alpha,alpha-trifluoro-m-toluic acid;Benzoic acid, 2-iodo-5-(trifluoromethyl)-
Categories:
Organic Chemistry > Coordination Complexes

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2-Iodo-5-(trifluoromethyl)benzoicacid Basic Attributes

Molecular Weight：

316.02

Exact Mass：

315.92081

DSSTox ID：

DTXSID70593979

Characteristics

Density：

2.005

Melting Point：

171-172 °C

Boiling Point：

301.4±42.0 °C(Predicted)

PKA：

2.43±0.10

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:316.02
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:315.92081
Monoisotopic Mass:315.92081
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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