Diethylcarbamyl chloride supplier

Name
Diethylcarbamyl chloride
EINECS 201-798-5
CAS No. 88-10-8
Article Data46
CAS DataBase
Density 1.069 g/cm³
Solubility Hydrolysis in water
Melting Point -32 °C(lit.)
Formula C₅H₁₀ClNO
Boiling Point 186 °C at 760 mmHg
Molecular Weight 135.594
Flash Point 75 °C
Transport Information UN 3265 8/PG 3
Appearance clear yellow to brownish liquid
Safety 26-36/37
Risk Codes 20/22-36/37/38-40
Molecular Structure
Hazard Symbols Xn
Synonyms Carbamicchloride, diethyl- (9CI);Carbamoyl chloride, diethyl- (6CI,7CI,8CI);(Diethylamino)carbonyl chloride;Carbamic chloride,N,N-diethyl-;N,N-Diethylcarbamoyl chloride;N,N-Diethylchloroformamide;NSC 223067;
PSA 20.31000
LogP 1.68700

Synthetic route

: 97-77-8
disulfiram

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
Stage #1: disulfiram With chlorine In dichloromethane at 24 - 26℃; for 7h; Cooling with ice; Stage #2: With water; sodium hydrogencarbonate In dichloromethane Cooling with ice;	90.3%

: 2757-23-5
chloro(chlorosulfanyl)methanone

: 109-89-7
diethylamine

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
Stage #1: chloro(chlorosulfanyl)methanone; diethylamine In dichloromethane at 40℃; Inert atmosphere; Stage #2: With chlorine In dichloromethane at 20℃;	88.6%

: 97-77-8
disulfiram

A: 88-10-8
N,N-diethylcarbamyl chloride

B: 88-11-9
N,N-diethylthiocarbamoyl chloride

Conditions

Conditions	Yield
With sulfuryl dichloride In benzene at 50℃; for 6h;	A 1.3% B 87%
With sulfuryl dichloride In benzene at 60℃; for 4h;	A 1.3% B 87%

: 32315-10-9
bis(trichloromethyl) carbonate

: 109-89-7
diethylamine

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
With sodium hydrogencarbonate In dichloromethane at -10℃;	73.2%
In tetrachloromethane; N,N-dimethyl-formamide for 6h; Reflux;
With N,N-dimethyl-formamide In tetrachloromethane for 6h; Reflux;
With sodium hydrogencarbonate In dichloromethane at -10 - 0℃;
With sodium hydrogencarbonate In dichloromethane at -10 - 20℃;

: 37174-63-3
S-Methyl N,N-diethylthiocarbamate

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
With sulfuryl dichloride at 0 - 20℃; for 1h;	72%

: 56-23-5
tetrachloromethane

: 121-44-8
triethylamine

A: 1187-03-7
N,N,N',N'-tetraethylurea

B: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
With heptamethyl Coβ-perchlorato-cob(II)yrinate; tetrabutylammonium perchlorate In acetonitrile at 20℃; for 3h; Electrolysis;	A 52% B 12%

...Expand

: 3553-80-8
ethyl N,N-diethylcarbamate

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
With trichlorophosphate In acetonitrile for 7h; Heating;	42.1%
With trichlorophosphate In acetonitrile Reflux;

: 67-56-1
methanol

: 75-44-5
phosgene

: 121-44-8
triethylamine

A: 4652-44-2
N-(methoxycarbonyl)diethylamine

B: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
Stage #1: phosgene; triethylamine In dichloromethane; toluene at 20℃; for 8h; Stage #2: methanol In dichloromethane; toluene at 20℃;	A 28% B 12%

...Expand

: 67-56-1
methanol

: 75-44-5
phosgene

: 121-44-8
triethylamine

A: 69892-16-6
dimethyl 2-[(diethylamino)methylidene]propanedioate

B: 58243-07-5
methyl (E)-3-(diethylamino)-2-propenoate

C: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
Stage #1: phosgene; triethylamine In tetrahydrofuran; toluene at 20℃; for 6h; Stage #2: methanol In tetrahydrofuran; toluene at 20℃;	A 6% B 21% C 14%

...Expand

: 55441-26-4
2-(diethylamino)-2-oxoacetic acid

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
With phosphorus pentachloride

: 75-44-5
phosgene

: 109-89-7
diethylamine

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
With toluene; benzene
With toluene
In toluene at 0℃; for 1h;

: 88-11-9
N,N-diethylthiocarbamoyl chloride

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
With aluminium trichloride; N-methyl-N-phenyl-benzamide In 1,2-dichloro-ethane

: 75-44-5
phosgene

: 121-44-8
triethylamine

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
In diethyl ether

: 75-44-5
phosgene

: 2C5H10NO2(1-)*Mn(2+)

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
In n-heptane; toluene

: 109-89-7
diethylamine

: 503-38-8
trichloromethyl chloroformate

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
In 1,4-dioxane at 55 - 60℃; for 4h;

: C7H15ClNO(1+)*Cl(1-)

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
In tetrahydrofuran Ambient temperature; Yield given;

: 75-44-5
phosgene

hydrochloride of diethylamine: hydrochloride of diethylamine

: 88-10-8
N,N-diethylcarbamyl chloride

: 75-44-5
phosgene

: 91-21-4
1,2,3,4-tetrahydroisoquinoline

: 121-44-8
triethylamine

A: 88-10-8
N,N-diethylcarbamyl chloride

B: 199480-42-7
1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl chloride

...Expand

: 91-21-4
1,2,3,4-tetrahydroisoquinoline

: 32315-10-9
bis(trichloromethyl) carbonate

: 121-44-8
triethylamine

A: 88-10-8
N,N-diethylcarbamyl chloride

B: 199480-42-7
1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl chloride

C: N,N-diethyl-N'-tetrahydroisoquinolinyl urea

D: 2,2’-carbonyl-di-(1,2,3,4-tetrahydroisoquinoline)

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 3h;	A 38 % Spectr. B 4 % Spectr. C 14 % Spectr. D 44 % Spectr.

...Expand

: 32315-10-9
bis(trichloromethyl) carbonate

: 122-97-4
3-Phenyl-1-propanol

: 121-44-8
triethylamine

A: 92322-64-0
γ-Phenylpropyl-N,N-diethylcarbamat

B: 65935-40-2
3-phenylpropyl chlorocarbonate

C: 88-10-8
N,N-diethylcarbamyl chloride

D: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 0.216667h;

...Expand

: 32315-10-9
bis(trichloromethyl) carbonate

: 1123-85-9
(RS)-2-phenyl-1-propanol

: 121-44-8
triethylamine

A: 1388181-66-5
(+/-)-2-phenylpropyl diethylcarbamate

B: 88-10-8
N,N-diethylcarbamyl chloride

C: C10H11ClO2

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 0.216667h;

...Expand

: 32315-10-9
bis(trichloromethyl) carbonate

: 121-44-8
triethylamine

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
In dichloromethane at 0℃;

: 109-89-7
diethylamine

: pyridiniumchlorocarbonyl chloride

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 1h; Inert atmosphere;

: 120-72-9
indole

: 88-10-8
N,N-diethylcarbamyl chloride

: 119668-50-7
indole-1-carboxylic acid diethylamide

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 20℃;	100%
Stage #1: indole With sodium hydride In tetrahydrofuran; mineral oil at 0℃; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran; mineral oil at 0℃; for 0.5h;	99%
With sodium hydride In tetrahydrofuran for 7h; Ambient temperature;	60%

: 504-15-4
orcinol

: 88-10-8
N,N-diethylcarbamyl chloride

: 5-Methylphenyl-1,3-bis(N,N-diethylcarbamate)

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile Heating;	100%
Stage #1: orcinol With sodium hydride In tetrahydrofuran at 20℃; for 2h; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at 20℃; for 8h;	95%

: 108-43-0
3-monochlorophenol

: 88-10-8
N,N-diethylcarbamyl chloride

: 159390-33-7
3-chlorophenyl N,N-diethylcarbamate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 70℃; for 13.5h;	100%
Stage #1: 3-monochlorophenol With sodium hydride In tetrahydrofuran; mineral oil at 23℃; for 1h; Inert atmosphere; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran; mineral oil at 23℃; for 16h; Inert atmosphere;	94%
Stage #1: 3-monochlorophenol With sodium hydride In tetrahydrofuran for 1.16667h; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at 20℃; for 14h;	93%

: 906660-44-4
7-Bromoindirubin-3'-oxime

: 88-10-8
N,N-diethylcarbamyl chloride

: (2'Z,3'E)-7-bromoindirubin-3'-[O-(N,N-diethylcarbamyl)oxime]

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 25℃; for 48h;	100%
With triethylamine In N,N-dimethyl-formamide at 20℃; for 48h; Inert atmosphere;

: 854141-63-2
1-(hydroxymethyl)-4-propylpyrrolidin-2-one

: 88-10-8
N,N-diethylcarbamyl chloride

: 854141-82-5
(2-oxo-4-propylpyrrolidin-1-yl)methyl diethylcarbamate

Conditions

Conditions	Yield
Stage #1: 1-(hydroxymethyl)-4-propylpyrrolidin-2-one; N,N-diethylcarbamyl chloride With triethylamine In dichloromethane at 20℃; Stage #2: With water In dichloromethane	100%
With triethylamine In dichloromethane at 20℃;	100%

: 88-10-8
N,N-diethylcarbamyl chloride

: 108-39-4
3-methyl-phenol

: 3-methylphenyl N,N-diethylcarbamate

Conditions

Conditions	Yield
Stage #1: 3-methyl-phenol With sodium hydride In tetrahydrofuran; mineral oil at 23℃; for 1h; Inert atmosphere; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran; mineral oil at 23℃; for 16h; Inert atmosphere;	100%
With potassium carbonate In acetonitrile at 85℃; for 18h;	32%
With triethylamine In chloroform at 0 - 20℃;
With potassium carbonate In acetonitrile at 20℃; for 12h; Inert atmosphere; Reflux;
With pyridine Inert atmosphere;

: 2713-31-7
2,5-difluorophenol

: 88-10-8
N,N-diethylcarbamyl chloride

: 1207163-57-2
O-2,5-difluorophenyl N,N-diethylcarbamate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 70℃; for 13.5h;	100%
Stage #1: 2,5-difluorophenol With sodium hydroxide In tetrahydrofuran for 0.166667h; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at 20℃; for 24h;	92%
Stage #1: 2,5-difluorophenol With sodium hydroxide In tetrahydrofuran at 20℃; for 0.166667h; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at 20℃; for 24h;
Stage #1: 2,5-difluorophenol With sodium hydroxide In tetrahydrofuran at 20℃; for 0.166667h; Inert atmosphere; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;

: 1343453-37-1
2-(3-amino-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

: 88-10-8
N,N-diethylcarbamyl chloride

: 1343454-71-6
2-[3-(3,3-diethyl-ureido)-phenyl]-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0 - 25℃; for 16h;	100%
With pyridine In dichloromethane at 0 - 25℃; for 16h;

: 2613-23-2
3-chloro-4-fluorophenol

: 88-10-8
N,N-diethylcarbamyl chloride

: (3-chloro-4-fluoro-phenyl) N,N-diethylcarbamate

Conditions

Conditions	Yield
With pyridine at 100℃; for 21h;	100%
Stage #1: 3-chloro-4-fluorophenol With sodium hydroxide In tetrahydrofuran for 0.166667h; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at 20℃; for 24h;	94%
Stage #1: 3-chloro-4-fluorophenol With sodium hydroxide In tetrahydrofuran at 20℃; for 0.166667h; Inert atmosphere; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;

: 873-62-1
m-cyanophenol

: 88-10-8
N,N-diethylcarbamyl chloride

: 3-cyanophenyl N,N-diethylcarbamate

Conditions

Conditions	Yield
Stage #1: m-cyanophenol With sodium hydride In tetrahydrofuran; mineral oil at 23℃; for 1h; Inert atmosphere; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran; mineral oil at 23℃; for 16h; Inert atmosphere;	100%

: 88-10-8
N,N-diethylcarbamyl chloride

: 90-05-1
2-methoxy-phenol

: 85630-19-9
N,N-diethyl-1-carbamyloxy-2-methoxybenzene

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 14h; Reflux;	99%
With pyridine for 6h; Heating;	96%
With sodium hydride In diethyl ether	93%

: 1118-02-1
trimethylsilyl isocyanate

: 88-10-8
N,N-diethylcarbamyl chloride

A: 75-77-4
chloro-trimethyl-silane

B: 40797-42-0
diethylcarbamoyl isocyanate

Conditions

Conditions	Yield
With tin(IV) chloride at 100 - 120℃; for 5h;	A 99% B 90%

...Expand

: 88-10-8
N,N-diethylcarbamyl chloride

: 90-43-7
2-Phenylphenol

: 132939-03-8
Diethylcarbamic acid, <1,1'-biphenyl>-2-yl ester

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 3h; Inert atmosphere; Reflux;	99%
With potassium carbonate In acetonitrile for 7h; Heating;	95%
With potassium carbonate In acetonitrile for 8h; Reflux;

: 95-77-2
3,4-dichlorophenol

: 88-10-8
N,N-diethylcarbamyl chloride

: 204930-39-2
O-3,4-dichlorophenyl N,N-diethylcarbamate

Conditions

Conditions	Yield
With pyridine at 100℃;	99%
Stage #1: 3,4-dichlorophenol With sodium hydroxide In tetrahydrofuran for 0.166667h; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at 20℃; for 24h;	90%
Stage #1: 3,4-dichlorophenol With sodium hydroxide In tetrahydrofuran at 20℃; for 0.166667h; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at 20℃; for 24h;

: 88-10-8
N,N-diethylcarbamyl chloride

: (Sp)-4-hydroxy-[2.2]paracyclophane

: (S)-O-(4-[2.2]paracyclophanyl) diethylcarbamate

Conditions

Conditions	Yield
With dmap In toluene	99%

: 5628-11-5
4-hydroxy-[2,2]-paracyclophane

: 88-10-8
N,N-diethylcarbamyl chloride

: (R)-O-(4-[2.2]paracyclophanyl) diethylcarbamate

Conditions

Conditions	Yield
With dmap In toluene	99%

: 591-20-8
3-Bromophenol

: 88-10-8
N,N-diethylcarbamyl chloride

: 863870-72-8
(3-bromophenyl) N,N-diethylcarbamate

Conditions

Conditions	Yield
With pyridine at 100℃; for 48h;	99%
Stage #1: 3-Bromophenol With sodium hydride In tetrahydrofuran at 20℃; for 2h; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at 20℃; for 8h;	91%
Stage #1: 3-Bromophenol With sodium hydride In tetrahydrofuran at 0 - 20℃; Inert atmosphere; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;	91%

: 1208-86-2
N-(4-methoxyphenyl)phenylamine

: 88-10-8
N,N-diethylcarbamyl chloride

: 883726-44-1
N,N-diethyl-N'-(4-methoxyphenyl)-N'-phenylurea

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran at 0 - 20℃;	99%

: 101-16-6
3-methoxy-N-phenylaniline

: 88-10-8
N,N-diethylcarbamyl chloride

: 883726-43-0
N,N-diethyl-N'-(3-methoxyphenyl)-N'-phenylurea

Conditions

Conditions	Yield
With lithium hexamethyldisilazane In tetrahydrofuran at 0 - 20℃;	99%

: 88-10-8
N,N-diethylcarbamyl chloride

: 122-39-4
diphenylamine

: 13114-73-3
N,N-diethyl-N',N'-diphenylurea

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran at 0 - 20℃;	99%

: 936841-41-7
2-phenyl-N-(2-phenylpropan-2-yl)benzenesulfonamide

: 88-10-8
N,N-diethylcarbamyl chloride

: 936841-57-5
2-(N,N-diethylcarboxamido)-6-phenyl-N-(2-phenylpropan-2-yl)benzenesulfonamide

Conditions

Conditions	Yield
Stage #1: 2-phenyl-N-(2-phenylpropan-2-yl)benzenesulfonamide With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran at 0℃; for 1h; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at -78 - 20℃; Further stages.;	99%

: 156393-66-7
C-Cyclopentylmethyl 1,2,4-Triazol-3-yl Sulfone

: 88-10-8
N,N-diethylcarbamyl chloride

: 3-(cyclopentylmethylsulfonyl)-N,N-diethyl-1,2,4-triazole-1-carboxamide

Conditions

Conditions	Yield
In pyridine	99%

: 280-57-9
1,4-diaza-bicyclo[2.2.2]octane

: 143535-47-1
1-(dimethylsulfamoyl)-5-(2-methyl-6-ethylphenylthio)-4-trifluoromethylpyrazole

: 88-10-8
N,N-diethylcarbamyl chloride

: 143533-07-7
1-(diethylcarbamoyl)-3-(2-methyl-6-ethylphenylthio)-4-trifluoromethylpyrazole

Conditions

Conditions	Yield
With sodium chloride; trifluoroacetic acid In hexane; chloroform; ethyl acetate; acetonitrile	99%

...Expand

: 22385-96-2
5,5'-di-tert-butyl-2,2'-dihydroxybiphenyl

: 88-10-8
N,N-diethylcarbamyl chloride

: 1032476-98-4
5,5'-di-tert-butyl-2,2'-bis(diethylcarbamoyloxy)biphenyl

Conditions

Conditions	Yield
Stage #1: 5,5'-di-tert-butyl-2,2'-dihydroxybiphenyl With dmap; sodium hydride In tetrahydrofuran at 0 - 20℃; for 1h; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at 20℃; for 16h; Further stages.;	99%

: 95-87-4
2,5-Dimethylphenol

: 88-10-8
N,N-diethylcarbamyl chloride

: Diethyl-carbamic acid 2,5-dimethyl-phenyl ester

Conditions

Conditions	Yield
With dmap In toluene for 7h; Reflux;	99%

: 5159-41-1
2-iodobenzyl alcohol

: 88-10-8
N,N-diethylcarbamyl chloride

: 2-iodobenzyl diethylcarbamate

Conditions

Conditions	Yield
Stage #1: 2-iodobenzyl alcohol With sodium hydride In tetrahydrofuran; paraffin oil at 0℃; for 0.25h; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran; paraffin oil at 20℃; for 0.25h;	99%

: 1745-07-9
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

: 88-10-8
N,N-diethylcarbamyl chloride

: N,N-diethyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere;	99%
With triethylamine In dichloromethane at 20℃; for 12h;	90%

: N-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide

: 88-10-8
N,N-diethylcarbamyl chloride

: C29H31N3O4

Conditions

Conditions	Yield
With potassium carbonate at 180℃; for 24h;	98.3%

: 55809-36-4
3-amino-5-tert-butylisoxazole

: 88-10-8
N,N-diethylcarbamyl chloride

: 55808-37-2
3-(5-tert-butyl-isoxazol-3-yl)-1,1-diethyl-urea

Conditions

Conditions	Yield
	98.2%

: 88-10-8
N,N-diethylcarbamyl chloride

: 62-53-3
aniline

: 1014-72-8
1-phenyl-3,3-diethylurea

Conditions

Conditions	Yield
In 1,4-dioxane at 20℃;	98%
at 20℃;	96%
In dichloromethane at 20℃; for 0.583333h;	80%

Diethylcarbamyl chloride Consensus Reports

Reported in EPA TSCA Inventory.

Diethylcarbamyl chloride Standards and Recommendations

DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans

Diethylcarbamyl chloride Specification

1. Introduction of Diethylcarbamyl chloride
With the CAS registry number 88-10-8, Diethylcarbamyl chloride is also named as Diethylchloroformamide. The IUPAC name of this chemical is N,N-diethylcarbamoyl chloride. The product's categorie is Pharmaceutical Intermediates. It is clear yellow to brownish liquid which is sensitive to moisture. When heated to decomposition it emits highly toxic fumes of Cl⁻ and NO_x. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

2. Properties of Diethylcarbamyl chloride
(1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 5.77; (6)ACD/BCF (pH 7.4): 5.77; (7)ACD/KOC (pH 5.5): 122.01; (8)ACD/KOC (pH 7.4): 122.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.445; (13)Molar Refractivity: 33.81 cm³; (14)Molar Volume: 126.8 cm³; (15)Polarizability: 13.4×10^-24 cm³; (16)Surface Tension: 31.4 dyne/cm; (17)Enthalpy of Vaporization: 42.22 kJ/mol; (18)Vapour Pressure: 0.678 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 135.045092; (21)MonoIsotopic Mass: 135.045092; (22)Topological Polar Surface Area: 20.3; (23)Heavy Atom Count: 8; (24)Complexity: 80.5.

3. Structure Descriptors of Diethylcarbamyl chloride
1. SMILES:ClC(=O)N(CC)CC
2. InChI:InChI=1/C5H10ClNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3
3. InChIKey:OFCCYDUUBNUJIB-UHFFFAOYAV

4. Toxicity of Diethylcarbamyl chloride

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	750mg/kg (750mg/kg)		National Technical Information Service. Vol. AD691-490,
rabbit	LDLo	skin	12840mg/kg (12840mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	National Technical Information Service. Vol. OTS0571246,
rat	LCLo	inhalation	159ppm/7H (159ppm)		National Technical Information Service. Vol. OTS0571246,
rat	LD50	oral	2700mg/kg (2700mg/kg)	BEHAVIORAL: COMA GASTROINTESTINAL: ALTERATION IN GASTRIC SECRETION BLOOD: CHANGES IN SPLEEN	National Technical Information Service. Vol. OTS0571246,

5. Safety Information of Diethylcarbamyl chloride
Hazard Symbols: Harmful

Xn
Risk Codes:
R20/22:Harmful by inhalation and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R40:Limited evidence of a carcinogenic effect.
Safety Description:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.

6. Preparation of Diethylcarbamoyl chloride
Formyl chlorination of ethylenediamine and phosgene to get crude diethylcarbamic chloride. Then we can get the product by deacidification.

7. Use of Diethylcarbamoyl chloride
Diethylcarbamoyl chloride is used as intermediate of pharmaceutical and pesticide benthiocarb. And it can react with 4-methoxy-aniline to get N,N-diethyl-N'-(4-methoxy-phenyl)-urea. This reaction needs reagent pyridine and solvent CH₂Cl₂ by heating. The yield is 55 %.

8. Other details of Diethylcarbamoyl chloride
Diethylcarbamoyl chloride is not only harmful by inhalation and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves.

Product Name

Diethylcarbamyl chloride

Synthetic route

Diethylcarbamyl chloride Consensus Reports

Diethylcarbamyl chloride Standards and Recommendations

Diethylcarbamyl chloride Specification

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