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2-Iodobenzoic acid

2-Iodobenzoic acid structure

CAS No:
88-67-5
Formula:
C7H5IO2
Chemical Name:
2-Iodobenzoic acid
Synonyms:
Benzoic acid,2-iodo-;Benzoic acid,o-iodo-;2-Iodobenzoic acid;o-Iodobenzoic acid;NSC 3772;2-Carboxyphenyl iodide
Categories:
Specialty Chemicals

Description

white crystal powder

2-iodobenzoic acid is an iodobenzoic acid with a single iodo substituent placed at the 2-position. It is an iodobenzoic acid and a 2-halobenzoic acid. It is a conjugate acid of a 2-iodobenzoate.

2-Iodobenzoic acid Basic Attributes

Molecular Weight：

248.02

Exact Mass：

248.02

BRN：

1861406

EC Number：

201-850-7

UNII：

7Q00V80J7Q

NSC Number：

3772

DSSTox ID：

DTXSID6058976

HScode：

29163900

Characteristics

PSA：

37.3

XLogP3：

2.4

Appearance：

Light yellow to orange-brown Powder, Crystals or Flakes

Density：

2.0±0.1 g/cm3

Melting Point：

163 °C

Boiling Point：

313.9°C at 760 mmHg

Flash Point：

157.7±23.2 °C

Refractive Index：

1.666

Water Solubility：

H2O: sparingly soluble ;soluble in dimethyl sulfoxide and methanol

Storage Conditions：

Refrigerator

Safety Information

Hazard category：

IRRITANT, LIGHT SENSITIVE

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-37/38-41-36/37/38-20/21/22

safety instructions：

26-39-24/25-22-36

RTECS Number：

DH2975000

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents, strong bases.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (99.16%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 119 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2-iodobenzoic acid

2-Iodobenzoic acid Use and Manufacturing

Methods of Manufacturing

Obtained from anthranilic acid through diazotization and substitution. The anthranilic acid was diazotized with sodium nitrite in the presence of sulfuric acid, and the temperature was controlled below 10°C. After the diazonium liquid was filtered, the mixed solution of potassium iodide and sulfuric acid was added, and the mixture was stirred for 10 minutes and boiled. Filter, wash with sodium thiosulfate solution, and recrystallize with water to get the finished product.

Uses

suzuki reaction

Manufacturing Info：

Benzoic acid, 2-iodo-: ACTIVE

Computed Properties

Molecular Weight:248.02
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:247.93343
Monoisotopic Mass:247.93343
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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