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Diethylformamide

Diethylformamide structure

CAS No:
617-84-5
Formula:
C5H11NO
Chemical Name:
Diethylformamide
Synonyms:
Formamide,N,N-diethyl-;N,N-Diethylformamide;Diethylformamide;N-Formyldiethylamine;NSC 6242
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to pale yellow liquid

Diethylformamide Basic Attributes

Molecular Weight：

101.15

Exact Mass：

101.15

BRN：

1209392

EC Number：

210-533-2

UNII：

D4BLP8BN9H

NSC Number：

6242

DSSTox ID：

DTXSID3020463

HScode：

29241990

Characteristics

PSA：

20.3

XLogP3：

0.5

Appearance：

Clear colorless to pale yellow Liquid

Density：

0.9057 g/cm³ @ Temp: 20 °C

Melting Point：

60-61 °C

Boiling Point：

177.5 °C

Flash Point：

141 °F

Refractive Index：

1.418

Water Solubility：

Miscible with acetone, benzene, alcohol and ether.

Storage Conditions：

Store below +30°C.

Vapor Pressure：

1.21 mmHg

Toxicity：

Abdominal cavity-rat LD50: 1740 mg/kg; abdominal cavity-mouse LD50: 3200 mg/kg

Flammability characteristics：

Combustible in case of open flame, high temperature and strong oxidant; emit toxic nitrogen oxide fumes during combustion

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39-37/39

RTECS Number：

LQ1925000

Marks：

Storage features：

Complete packaging, light loading and unloading; warehouse ventilated, away from open flame, high temperature, stored separately from oxidants and acids

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (85.42%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 48 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Drug Information

Metabolism/Metabolites：

N,n-diethylformamide has known human metabolites that include N-Ethyl-N-(1-hydroxyethyl)formamide.

MeSH Entry Terms：

diethylformamide

Diethylformamide Use and Manufacturing

Manufacturing Info：

Formamide, N,N-diethyl-: ACTIVE

Computed Properties

Molecular Weight:101.15
XLogP3:0.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:101.084063974
Monoisotopic Mass:101.084063974
Topological Polar Surface Area:20.3
Heavy Atom Count:7
Complexity:50
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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