CAS 88-11-9 Diethylthiocarbamoyl chloride (HCID 66607)

Names & identifiers

Preferred name: Diethylthiocarbamoyl chloride
IUPAC: N,N-diethylcarbamothioyl chloride
English name: Diethylthiocarbamoyl chloride
Molecular formula: C5H10ClNS
Molecular weight: 151.66

Names & synonyms

Diethylthiocarbamoyl chloride88-11-9Carbamothioic chloride, diethyl-EINECS 201-799-0DTXSID0075364NSC 379476RefChem:133536DTXCID3048607201-799-0N,N-diethylcarbamothioyl chlorideN,N-Diethylcarbamothioic chlorideMFCD00022106

Show more names

dlethylthiocarbamyl chlorideDiethyl thiocarbamyl chlorideDiethylthiocarbaMoyl chloride 95%Diethylthiocarbamoyl chloride, tech

Carbamothioic chloride, N,N-diethyl-diethylcarbamothioic chlorideDiethylcarbamothioyl chlorideDiethyl thiocarbamoyl chloride(chloromethanethioyl)diethylamine(diethylamino)methanethioyl chlorideDiethylthiocarbamoylchloridediethylthiocarbamyl chloride

Database identifiers

CAS: 88-11-9
PubChem CID: 66607
DTXSID: DTXSID0075364
EC Number: 201-799-0
Nikkaji: J23.437K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 80.5

Physicochemical properties

Melting point: 45 · 45-50 °C (lit.)
Boiling point: 113 °C/10 · 113 °C/10 mmHg (lit.)
Density: 1.119 · 1.119 (estimate)
refractive index: 1.61 · 1.6100 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Refrigerator, Under Inert Atmosphere
solubility: soluble in Dichloromethane, Ethyl Acetate
form: solid
pka: 0.3 · 0.30±0.50(Predicted)
Stability: Hygroscopic, Water Sensitive
InChI: 1S/C5H10ClNS/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3
InChIKey: HUUSTUALCPTCGJ-UHFFFAOYSA-N
SMILES: CCN(CC)C(Cl)=S
CAS DataBase Reference: 88 · 88-11-9(CAS DataBase Reference)
EPA Substance Registry System: Carbamothioic chloride, diethyl- (88-11-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi
Risk Statements: 34 · 34
Safety Statements: 22 · 22-26-27-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29302000 · 29302000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29302000
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 22-26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications · 3 items

UsesDiethylthiocarbamoyl chloride (N,N′-Diethylthiocarbamoyl chloride) may be used in the following syntheses:aryl isothiocyanates5-substituted 4-methyl-2-thiazolyl diethyldithiocarbamatesnovel type of vasorelaxant hybrid compounds

UsesDiethylthiocarbamoyl chloride is a useful synthetic intermediate

General DescriptionDiethylthiocarbamoyl chloride is a thiocarbamoyl derivative. It has been reported to participate in the thionation of amides as thionating reagent.