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1,1′-Carbonyldiimidazole

1,1′-Carbonyldiimidazole structure

CAS No:
530-62-1
Formula:
C7H6N4O
Chemical Name:
1,1′-Carbonyldiimidazole
Synonyms:
Methanone,di-1H-imidazol-1-yl-;Imidazole,1,1′-carbonyldi-;1H-Imidazole,1,1′-carbonylbis-;Di-1H-imidazol-1-ylmethanone;N,N′-Carbonyldiimidazole;N,N′-Carbonylbis(imidazole);Diimidazol-1-yl ketone;1,1′-Carbonylbisimidazole;1,1′-Carbonylbis-1H-imidazole;1,1′-Carbonyldiimidazole;N,N-Carbonyldiimidazole;1-(1H-Imidazol-1-ylcarbonyl)-1H-imidazole;NSC 67203;Bis(imidazol-1-yl)methanone;Bis(imidazol-1-yl) ketone;Bis(1H-imidazol-1-yl)methanone;1,1-Carbonyldiimidazole;1-(1H-Imidazole-1-carbonyl)-1H-imidazole;128456-94-0
Categories:
Biochemical Engineering > Condensing Agent

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Description

White crystalline powder

1,1′-Carbonyldiimidazole Basic Attributes

Molecular Weight：

162.15

Exact Mass：

162.15

BRN：

6826

EC Number：

208-488-9

UNII：

63A10X1FSP

NSC Number：

67203

DSSTox ID：

DTXSID9038761

HScode：

29332990

Characteristics

PSA：

52.7

XLogP3：

-0.2

Appearance：

White to light cream Crystalline Powder

Density：

1.4±0.1 g/cm3

Melting Point：

119 °C

Boiling Point：

394.6°C at 760 mmHg

Flash Point：

192.5±23.2 °C

Refractive Index：

1.691

Water Solubility：

soluble in dimethylformamide.

Storage Conditions：

2-8°C

Toxicity：

LD50 orally in Rabbit: 1071 mg/kg

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3263 8/PG 2

wgk germany：

hazard class code：

22-34-36/37/38-40-36/38

safety instructions：

26-36/37/39-45-37/39-27-36/37

Marks：

C,Xi,Xn

Hazard note：

Harmful/Corrosive/Moisture Sensitive

Stability/Shelf Life：

Stable, but moisture-sensitive. Incompatible with acids, strong oxidizing agents, water.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H302-H314

GHS Classification：

|Danger|H302 (83.02%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P280, P281, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P321, P330, P332+P313, P337+P313, P362, P363, P405, and P501|Aggregated GHS information provided by 212 companies from 25 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,1'-carbonyldiimidazole

1,1′-Carbonyldiimidazole Use and Manufacturing

Methods of Manufacturing

The imidazole is reacted with phosgene dissolved in benzene, the imidazole hydrochloride in the reaction is filtered off, and the filtrate is concentrated to dryness to obtain 1, 1'-carbonyldiimidazole with a yield of 91%.

Uses

In the synthesis of peptides.Reacts readily with carboxylic acids to form acyl imidazoles; subsequent reaction with amines to form amides goes smoothly.

Manufacturing Info：

Methanone, di-1H-imidazol-1-yl-: ACTIVE

Computed Properties

Molecular Weight:162.15
XLogP3:-0.2
Hydrogen Bond Acceptor Count:3
Exact Mass:162.05416083
Monoisotopic Mass:162.05416083
Topological Polar Surface Area:52.7
Heavy Atom Count:12
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1′-Carbonyldiimidazole

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1,1′-Carbonyldiimidazole

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